10-[(3-chlorophenyl)methyl]-N-(2-methyl-3-nitrophenyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(3-chlorophenyl)methyl]-N-(2-methyl-3-nitrophenyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(3-chlorophenyl)methyl]-N-(2-methyl-3-nitrophenyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-9898 |
| Compound Name: | 10-[(3-chlorophenyl)methyl]-N-(2-methyl-3-nitrophenyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 546 |
| Molecular Formula: | C28 H20 Cl N3 O5 S |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)NC(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2304 |
| logD: | 5.2206 |
| logSw: | -5.396 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.259 |
| InChI Key: | DYULYHFXZXELGF-UHFFFAOYSA-N |