N-[(2-chlorophenyl)methyl]-10-[(2-methylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-10-[(2-methylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[(2-chlorophenyl)methyl]-10-[(2-methylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-0049 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-10-[(2-methylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 515.03 |
| Molecular Formula: | C29 H23 Cl N2 O3 S |
| Smiles: | Cc1ccccc1CN1C(c2ccccc2S(c2ccc(cc12)C(NCc1ccccc1[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5058 |
| logD: | 5.5058 |
| logSw: | -5.693 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.198 |
| InChI Key: | FCAMJMXLCUFVNO-UHFFFAOYSA-N |