N-cyclopropyl-3-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-cyclopropyl-3-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)benzamide
N-cyclopropyl-3-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V024-8231 |
| Compound Name: | N-cyclopropyl-3-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 557.64 |
| Molecular Formula: | C28 H30 F3 N5 O2 S |
| Salt: | not_available |
| Smiles: | COCc1cc(nc(n1)SCc1cccc(c1)C(NC1CC1)=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.4863 |
| logD: | 5.486 |
| logSw: | -5.5408 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.825 |
| InChI Key: | CBSQESHSQMLDRH-UHFFFAOYSA-N |