N-[4-(2-{[3-(4-methylpiperazin-1-yl)propyl]amino}-2-oxoethyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Chemical Structure Depiction of
N-[4-(2-{[3-(4-methylpiperazin-1-yl)propyl]amino}-2-oxoethyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
N-[4-(2-{[3-(4-methylpiperazin-1-yl)propyl]amino}-2-oxoethyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Compound characteristics
| Compound ID: | G217-1140 |
| Compound Name: | N-[4-(2-{[3-(4-methylpiperazin-1-yl)propyl]amino}-2-oxoethyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide |
| Molecular Weight: | 463.62 |
| Molecular Formula: | C27 H37 N5 O2 |
| Smiles: | CN1CCN(CCCNC(Cc2ccc(cc2)NC(N2CCCCc3ccccc23)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.6979 |
| logD: | 1.4933 |
| logSw: | -3.2042 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.204 |
| InChI Key: | ZYUUAURKQOXJDB-UHFFFAOYSA-N |