11-ethyl-N,2-dimethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
11-ethyl-N,2-dimethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
11-ethyl-N,2-dimethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-1236 |
| Compound Name: | 11-ethyl-N,2-dimethyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 310.42 |
| Molecular Formula: | C18 H18 N2 O S |
| Smiles: | CCC1c2cc(C)ccc2Sc2ccc(cc2N=1)C(NC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9942 |
| logD: | 3.9938 |
| logSw: | -4.1606 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.066 |
| InChI Key: | IYMBXDCEFWVEMU-UHFFFAOYSA-N |