10-[(2,5-dimethylphenyl)methyl]-11-oxo-N-(prop-2-en-1-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2,5-dimethylphenyl)methyl]-11-oxo-N-(prop-2-en-1-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2,5-dimethylphenyl)methyl]-11-oxo-N-(prop-2-en-1-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K786-6674 |
| Compound Name: | 10-[(2,5-dimethylphenyl)methyl]-11-oxo-N-(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(C)c(CN2C(c3ccccc3Sc3ccc(cc23)C(NCC=C)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.72 |
| logD: | 5.72 |
| logSw: | -5.357 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.927 |
| InChI Key: | ALRWAECTFNLIQW-UHFFFAOYSA-N |