N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-bromo-11-ethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-bromo-11-ethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-bromo-11-ethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-2161 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-bromo-11-ethyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 495.39 |
| Molecular Formula: | C24 H19 Br N2 O3 S |
| Smiles: | CCC1c2cc(ccc2Sc2ccc(cc2N=1)C(NCc1ccc2c(c1)OCO2)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.9556 |
| logD: | 5.9555 |
| logSw: | -5.4689 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.759 |
| InChI Key: | CJGUTRNJWINKOX-UHFFFAOYSA-N |