N-[2-(4-methylphenyl)ethyl]-11-oxo-10-(prop-2-en-1-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[2-(4-methylphenyl)ethyl]-11-oxo-10-(prop-2-en-1-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[2-(4-methylphenyl)ethyl]-11-oxo-10-(prop-2-en-1-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-1734 |
| Compound Name: | N-[2-(4-methylphenyl)ethyl]-11-oxo-10-(prop-2-en-1-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 428.55 |
| Molecular Formula: | C26 H24 N2 O2 S |
| Smiles: | Cc1ccc(CCNC(c2ccc3c(c2)N(CC=C)C(c2ccccc2S3)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0851 |
| logD: | 5.0851 |
| logSw: | -4.6906 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.905 |
| InChI Key: | ITEUWBXKLJHMKH-UHFFFAOYSA-N |