N-[2-(4-chlorophenyl)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-chlorophenyl)ethyl]-11-oxo-10-(prop-2-en-1-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[2-(4-chlorophenyl)ethyl]-11-oxo-10-(prop-2-en-1-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K784-7752 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-11-oxo-10-(prop-2-en-1-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 448.97 |
| Molecular Formula: | C25 H21 Cl N2 O2 S |
| Smiles: | C=CCN1C(c2ccccc2Sc2ccc(cc12)C(NCCc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2564 |
| logD: | 5.2564 |
| logSw: | -5.7141 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.905 |
| InChI Key: | NXFQISWGNTZBHT-UHFFFAOYSA-N |