N-benzyl-2-chloro-11-ethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-benzyl-2-chloro-11-ethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-benzyl-2-chloro-11-ethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-0759 |
| Compound Name: | N-benzyl-2-chloro-11-ethyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 406.93 |
| Molecular Formula: | C23 H19 Cl N2 O S |
| Smiles: | CCC1c2cc(ccc2Sc2ccc(cc2N=1)C(NCc1ccccc1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.846 |
| logD: | 5.8458 |
| logSw: | -5.8215 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.644 |
| InChI Key: | QZHMDUYPRJASFC-UHFFFAOYSA-N |