10-[(3-chlorophenyl)methyl]-N-(2-ethylphenyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(3-chlorophenyl)methyl]-N-(2-ethylphenyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(3-chlorophenyl)methyl]-N-(2-ethylphenyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C700-0596 |
| Compound Name: | 10-[(3-chlorophenyl)methyl]-N-(2-ethylphenyl)-5,5,11-trioxo-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: | CCc1ccccc1NC(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.922 |
| logD: | 5.922 |
| logSw: | -5.8408 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.774 |
| InChI Key: | MTIQLNHRPSQNAF-UHFFFAOYSA-N |