N-[2-(3,4-diethoxyphenyl)ethyl]-2,11-dimethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-2,11-dimethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[2-(3,4-diethoxyphenyl)ethyl]-2,11-dimethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-1118 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-2,11-dimethyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 474.62 |
| Molecular Formula: | C28 H30 N2 O3 S |
| Smiles: | CCOc1ccc(CCNC(c2ccc3c(c2)N=C(C)c2cc(C)ccc2S3)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 5.1624 |
| logD: | 5.1623 |
| logSw: | -4.855 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.176 |
| InChI Key: | RQLAONTWTWMDJU-UHFFFAOYSA-N |