N-benzyl-10-[(3-chlorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-benzyl-10-[(3-chlorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-benzyl-10-[(3-chlorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K786-3624 |
| Compound Name: | N-benzyl-10-[(3-chlorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 485 |
| Molecular Formula: | C28 H21 Cl N2 O2 S |
| Smiles: | C(c1ccccc1)NC(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4997 |
| logD: | 6.4997 |
| logSw: | -6.3501 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.814 |
| InChI Key: | DQPYTIQSZMHIPG-UHFFFAOYSA-N |