2-chloro-11-ethyl-N-(3-methylbutyl)dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
2-chloro-11-ethyl-N-(3-methylbutyl)dibenzo[b,f][1,4]thiazepine-8-carboxamide
2-chloro-11-ethyl-N-(3-methylbutyl)dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-4312 |
| Compound Name: | 2-chloro-11-ethyl-N-(3-methylbutyl)dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 386.94 |
| Molecular Formula: | C21 H23 Cl N2 O S |
| Smiles: | CCC1c2cc(ccc2Sc2ccc(cc2N=1)C(NCCC(C)C)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.8724 |
| logD: | 5.8722 |
| logSw: | -5.92 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.757 |
| InChI Key: | VRAVJJAICXJULB-UHFFFAOYSA-N |