N-benzyl-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-benzyl-10-ethyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-benzyl-10-ethyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-0310 |
| Compound Name: | N-benzyl-10-ethyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C23 H20 N2 O4 S |
| Smiles: | CCN1C(c2ccccc2S(c2ccc(cc12)C(NCc1ccccc1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9327 |
| logD: | 2.9326 |
| logSw: | -3.7448 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.79 |
| InChI Key: | UHKSCFPVBDFZQT-UHFFFAOYSA-N |