N-[2-(4-ethoxyphenyl)ethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[2-(4-ethoxyphenyl)ethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[2-(4-ethoxyphenyl)ethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C791-0096 |
| Compound Name: | N-[2-(4-ethoxyphenyl)ethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 418.51 |
| Molecular Formula: | C24 H22 N2 O3 S |
| Smiles: | CCOc1ccc(CCNC(c2ccc3c(c2)NC(c2ccccc2S3)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3685 |
| logD: | 4.3675 |
| logSw: | -4.2 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.554 |
| InChI Key: | PIRSODWAWQAEIQ-UHFFFAOYSA-N |