N-(2-chloro-4-nitrophenyl)-10-[(3-chlorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-(2-chloro-4-nitrophenyl)-10-[(3-chlorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-(2-chloro-4-nitrophenyl)-10-[(3-chlorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-9627 |
| Compound Name: | N-(2-chloro-4-nitrophenyl)-10-[(3-chlorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 566.42 |
| Molecular Formula: | C27 H17 Cl2 N3 O5 S |
| Smiles: | C(c1cccc(c1)[Cl])N1C(c2ccccc2S(c2ccc(cc12)C(Nc1ccc(cc1[Cl])[N+]([O-])=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5351 |
| logD: | 5.0486 |
| logSw: | -5.8106 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.56 |
| InChI Key: | YDMOLVRBVFLEKG-UHFFFAOYSA-N |