3-(5-bromo-2-methoxyphenyl)-1-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}prop-2-en-1-one
Chemical Structure Depiction of
3-(5-bromo-2-methoxyphenyl)-1-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}prop-2-en-1-one
3-(5-bromo-2-methoxyphenyl)-1-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}prop-2-en-1-one
Compound characteristics
| Compound ID: | 3149-0404 |
| Compound Name: | 3-(5-bromo-2-methoxyphenyl)-1-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}prop-2-en-1-one |
| Molecular Weight: | 514.3 |
| Molecular Formula: | C21 H19 Br F3 N3 O4 |
| Smiles: | COc1ccc(cc1/C=C/C(N1CCN(CC1)c1ccc(cc1[N+]([O-])=O)C(F)(F)F)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.9833 |
| logD: | 4.9833 |
| logSw: | -4.9517 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.03 |
| InChI Key: | FZOLBIGZIKBEQN-UHFFFAOYSA-N |