2-chloro-11-ethyl-N-[(4-fluorophenyl)methyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
2-chloro-11-ethyl-N-[(4-fluorophenyl)methyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide
2-chloro-11-ethyl-N-[(4-fluorophenyl)methyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K783-5502 |
| Compound Name: | 2-chloro-11-ethyl-N-[(4-fluorophenyl)methyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 424.92 |
| Molecular Formula: | C23 H18 Cl F N2 O S |
| Smiles: | CCC1c2cc(ccc2Sc2ccc(cc2N=1)C(NCc1ccc(cc1)F)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.875 |
| logD: | 5.8748 |
| logSw: | -5.9205 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.644 |
| InChI Key: | DXWNHZRWUWMCJC-UHFFFAOYSA-N |