N-(4-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Chemical Structure Depiction of
N-(4-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
N-(4-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Compound characteristics
| Compound ID: | G217-0150 |
| Compound Name: | N-(4-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide |
| Molecular Weight: | 449.6 |
| Molecular Formula: | C26 H35 N5 O2 |
| Smiles: | CN1CCN(CCCNC(c2ccc(cc2)NC(N2CCCCc3ccccc23)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.9714 |
| logD: | 1.821 |
| logSw: | -3.5736 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.417 |
| InChI Key: | QPBNEGPYYITQAO-UHFFFAOYSA-N |