10-benzyl-N-[2-(4-chlorophenyl)ethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-benzyl-N-[2-(4-chlorophenyl)ethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
10-benzyl-N-[2-(4-chlorophenyl)ethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K784-7805 |
| Compound Name: | 10-benzyl-N-[2-(4-chlorophenyl)ethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 499.03 |
| Molecular Formula: | C29 H23 Cl N2 O2 S |
| Smiles: | C(CNC(c1ccc2c(c1)N(Cc1ccccc1)C(c1ccccc1S2)=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.3725 |
| logD: | 6.3725 |
| logSw: | -6.2846 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.655 |
| InChI Key: | IXBVZQMSMTUZCA-UHFFFAOYSA-N |