N-[3-(azepan-1-yl)propyl]-10-[(3-chlorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-10-[(3-chlorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[3-(azepan-1-yl)propyl]-10-[(3-chlorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K786-3641 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-10-[(3-chlorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 534.12 |
| Molecular Formula: | C30 H32 Cl N3 O2 S |
| Smiles: | C1CCCN(CC1)CCCNC(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2981 |
| logD: | 3.7274 |
| logSw: | -6.1814 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.969 |
| InChI Key: | RBYYBZYDHGBSMV-UHFFFAOYSA-N |