2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethyl (thiophene-2-carbonyl)carbamate
Chemical Structure Depiction of
2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethyl (thiophene-2-carbonyl)carbamate
2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethyl (thiophene-2-carbonyl)carbamate
Compound characteristics
| Compound ID: | 8015-4231 |
| Compound Name: | 2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethyl (thiophene-2-carbonyl)carbamate |
| Molecular Weight: | 462.88 |
| Molecular Formula: | C18 H18 Cl F3 N4 O3 S |
| Smiles: | C1CN(CCN1CCOC(NC(c1cccs1)=O)=O)c1c(cc(cn1)C(F)(F)F)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.4487 |
| logD: | 3.0852 |
| logSw: | -3.8178 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.215 |
| InChI Key: | XBXSQFLKVAQYQB-UHFFFAOYSA-N |