N-[2-(2,5-dimethoxyphenyl)ethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[2-(2,5-dimethoxyphenyl)ethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[2-(2,5-dimethoxyphenyl)ethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C791-0094 |
| Compound Name: | N-[2-(2,5-dimethoxyphenyl)ethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 434.51 |
| Molecular Formula: | C24 H22 N2 O4 S |
| Smiles: | COc1ccc(c(CCNC(c2ccc3c(c2)NC(c2ccccc2S3)=O)=O)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.349 |
| logD: | 4.3481 |
| logSw: | -4.3201 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.604 |
| InChI Key: | QRSYKEXEVFDXMW-UHFFFAOYSA-N |