11-ethyl-N-[(4-methoxyphenyl)methyl]-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
11-ethyl-N-[(4-methoxyphenyl)methyl]-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
11-ethyl-N-[(4-methoxyphenyl)methyl]-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-1207 |
| Compound Name: | 11-ethyl-N-[(4-methoxyphenyl)methyl]-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C25 H24 N2 O2 S |
| Smiles: | CCC1c2cc(C)ccc2Sc2ccc(cc2N=1)C(NCc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.554 |
| logD: | 5.5536 |
| logSw: | -5.35 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.188 |
| InChI Key: | OHBVHHLRYRTPQV-UHFFFAOYSA-N |