N-(cyclopropylmethyl)-4-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-(cyclopropylmethyl)-4-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)benzamide
N-(cyclopropylmethyl)-4-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V026-3739 |
| Compound Name: | N-(cyclopropylmethyl)-4-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 571.66 |
| Molecular Formula: | C29 H32 F3 N5 O2 S |
| Salt: | not_available |
| Smiles: | COCc1cc(nc(n1)SCc1ccc(cc1)C(NCC1CC1)=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.5793 |
| logD: | 5.5791 |
| logSw: | -5.5744 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.292 |
| InChI Key: | NKNLKQIUZDBJBA-UHFFFAOYSA-N |