11-ethyl-2-methyl-N-[(4-methylphenyl)methyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
11-ethyl-2-methyl-N-[(4-methylphenyl)methyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide
11-ethyl-2-methyl-N-[(4-methylphenyl)methyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-0679 |
| Compound Name: | 11-ethyl-2-methyl-N-[(4-methylphenyl)methyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 400.54 |
| Molecular Formula: | C25 H24 N2 O S |
| Smiles: | CCC1c2cc(C)ccc2Sc2ccc(cc2N=1)C(NCc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.995 |
| logD: | 5.9946 |
| logSw: | -5.3689 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.644 |
| InChI Key: | BEKTZRSNSQESKG-UHFFFAOYSA-N |