10-[(3-chlorophenyl)methyl]-11-oxo-N-[3-(piperidin-1-yl)propyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(3-chlorophenyl)methyl]-11-oxo-N-[3-(piperidin-1-yl)propyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(3-chlorophenyl)methyl]-11-oxo-N-[3-(piperidin-1-yl)propyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K786-3602 |
| Compound Name: | 10-[(3-chlorophenyl)methyl]-11-oxo-N-[3-(piperidin-1-yl)propyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 520.09 |
| Molecular Formula: | C29 H30 Cl N3 O2 S |
| Smiles: | C1CCN(CC1)CCCNC(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8022 |
| logD: | 3.2059 |
| logSw: | -5.8551 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.638 |
| InChI Key: | KHQPXNQBVRANJA-UHFFFAOYSA-N |