N-[2-(4-benzylpiperazin-1-yl)ethyl]-10-[(3-chlorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[2-(4-benzylpiperazin-1-yl)ethyl]-10-[(3-chlorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[2-(4-benzylpiperazin-1-yl)ethyl]-10-[(3-chlorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K786-3605 |
| Compound Name: | N-[2-(4-benzylpiperazin-1-yl)ethyl]-10-[(3-chlorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 597.18 |
| Molecular Formula: | C34 H33 Cl N4 O2 S |
| Smiles: | C(CN1CCN(CC1)Cc1ccccc1)NC(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9836 |
| logD: | 5.845 |
| logSw: | -6.0562 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.178 |
| InChI Key: | UMCHSWMTOQKFPK-UHFFFAOYSA-N |