2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethyl 3,4-dimethoxybenzoate
Chemical Structure Depiction of
2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethyl 3,4-dimethoxybenzoate
2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethyl 3,4-dimethoxybenzoate
Compound characteristics
| Compound ID: | 8016-7994 |
| Compound Name: | 2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethyl 3,4-dimethoxybenzoate |
| Molecular Weight: | 473.88 |
| Molecular Formula: | C21 H23 Cl F3 N3 O4 |
| Smiles: | COc1ccc(cc1OC)C(=O)OCCN1CCN(CC1)c1c(cc(cn1)C(F)(F)F)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.0705 |
| logD: | 4.0658 |
| logSw: | -4.4435 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.589 |
| InChI Key: | MBTHHQXINZBKQQ-UHFFFAOYSA-N |