N-[(4-chlorophenyl)methyl]-10-ethyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-10-ethyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[(4-chlorophenyl)methyl]-10-ethyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-0314 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-10-ethyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 454.93 |
| Molecular Formula: | C23 H19 Cl N2 O4 S |
| Smiles: | CCN1C(c2ccccc2S(c2ccc(cc12)C(NCc1ccc(cc1)[Cl])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5274 |
| logD: | 3.5273 |
| logSw: | -4.0848 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.79 |
| InChI Key: | FYUIMZBDLDJJJY-UHFFFAOYSA-N |