3-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)-N-[2-(morpholin-4-yl)ethyl]benzamide
Chemical Structure Depiction of
3-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)-N-[2-(morpholin-4-yl)ethyl]benzamide
3-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)-N-[2-(morpholin-4-yl)ethyl]benzamide
Compound characteristics
| Compound ID: | V026-9567 |
| Compound Name: | 3-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)-N-[2-(morpholin-4-yl)ethyl]benzamide |
| Molecular Weight: | 630.73 |
| Molecular Formula: | C31 H37 F3 N6 O3 S |
| Salt: | not_available |
| Smiles: | COCc1cc(nc(n1)SCc1cccc(c1)C(NCCN1CCOCC1)=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.6129 |
| logD: | 4.5988 |
| logSw: | -4.3447 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.501 |
| InChI Key: | QKLYZUMBKNNLKB-UHFFFAOYSA-N |