10-[(4-chlorophenyl)methyl]-5,5,11-trioxo-N-(2-phenylethyl)-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(4-chlorophenyl)methyl]-5,5,11-trioxo-N-(2-phenylethyl)-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(4-chlorophenyl)methyl]-5,5,11-trioxo-N-(2-phenylethyl)-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-1014 |
| Compound Name: | 10-[(4-chlorophenyl)methyl]-5,5,11-trioxo-N-(2-phenylethyl)-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 531.03 |
| Molecular Formula: | C29 H23 Cl N2 O4 S |
| Smiles: | C(CNC(c1ccc2c(c1)N(Cc1ccc(cc1)[Cl])C(c1ccccc1S2(=O)=O)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.763 |
| logD: | 4.763 |
| logSw: | -4.9539 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.636 |
| InChI Key: | MHTWMOLPIUHXTM-UHFFFAOYSA-N |