2,2-dimethyl-5-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
2,2-dimethyl-5-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
2,2-dimethyl-5-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | C773-0261 |
| Compound Name: | 2,2-dimethyl-5-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 477.55 |
| Molecular Formula: | C24 H26 F3 N3 O2 S |
| Smiles: | CC1(C)CC(N(CC(N2CCN(CC2)c2cccc(c2)C(F)(F)F)=O)c2ccccc2S1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.656 |
| logD: | 4.656 |
| logSw: | -4.4827 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.603 |
| InChI Key: | RYMNOGLFGJWNIQ-UHFFFAOYSA-N |