4-[3-(2-cyclohexylethoxy)benzoyl]-N-phenylpiperazine-1-carboxamide
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CAS Number 1008768-41-9
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Catalog Number io-406822
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Molecular Weight 435.6000
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SMILES C1CCC(CC1)CCOC2=CC=CC(=C2)C(=O)N3CCN(CC3)C(=O)NC4=CC=CC=C4
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| 1 | TEAD-IN-8 |
| 2 | 4-[3-(2-cyclohexylethoxy)benzoyl]-N-phenylpiperazine-1-carboxamide |
| 3 | 4-(3-(2-Cyclohexylethoxy)benzoyl)-N-phenylpiperazine-1-carboxamide |
| 4 | P0I |
| 5 | TEAD inhibitor TM2 |
| Molecular Formula | C26H33N3O3 |
|---|---|
| Canonical SMILES | C1CCC(CC1)CCOC2=CC=CC(=C2)C(=O)N3CCN(CC3)C(=O)NC4=CC=CC=C4 |
| Isomeric SMILES | C1CCC(CC1)CCOC2=CC=CC(=C2)C(=O)N3CCN(CC3)C(=O)NC4=CC=CC=C4 |
| Molecular Weight | 435.6000 |
| InChIKey | LWLAYULJAJMPKG-UHFFFAOYSA-N |
| InChI | InChI=1S/C26H33N3O3/c30-25(22-10-7-13-24(20-22)32-19-14-21-8-3-1-4-9-21)28-15-17-29(18-16-28)26(31)27-23-11-5-2-6-12-23/h2,5-7,10-13,20-21H,1,3-4,8-9,14-19H2,(H,27,31) |
| XLogP | 5.1000 |
| ExactMass | 435.2522 |
| MonoisotopicMass | 435.2522 |
| TPSA | 61.9000 |
| Complexity | 593.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 6 |
| HeavyAtomCount | 32 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 4 |
| PatentFamilyCount | 2 |
| LiteratureCount | 1 |
