N-[2-(3,4-dimethoxyphenyl)ethyl]-2,11-dimethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,11-dimethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,11-dimethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-1084 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2,11-dimethyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C26 H26 N2 O3 S |
| Smiles: | CC1c2cc(C)ccc2Sc2ccc(cc2N=1)C(NCCc1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6712 |
| logD: | 4.671 |
| logSw: | -4.3388 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.016 |
| InChI Key: | ZFOHJSXMQVZWAA-UHFFFAOYSA-N |