10-ethyl-N-[2-(4-methylphenyl)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-ethyl-N-[2-(4-methylphenyl)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-ethyl-N-[2-(4-methylphenyl)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-0335 |
| Compound Name: | 10-ethyl-N-[2-(4-methylphenyl)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C25 H24 N2 O4 S |
| Smiles: | CCN1C(c2ccccc2S(c2ccc(cc12)C(NCCc1ccc(C)cc1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2896 |
| logD: | 3.2896 |
| logSw: | -3.7987 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.632 |
| InChI Key: | GAORHVATXWNXPK-UHFFFAOYSA-N |