N-(2-methoxyethyl)-3-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzamide
Chemical Structure Depiction of
N-(2-methoxyethyl)-3-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzamide
N-(2-methoxyethyl)-3-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzamide
Compound characteristics
| Compound ID: | V005-0680 |
| Compound Name: | N-(2-methoxyethyl)-3-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzamide |
| Molecular Weight: | 545.63 |
| Molecular Formula: | C27 H30 F3 N5 O2 S |
| Salt: | not_available |
| Smiles: | Cc1cc(nc(n1)SCc1cccc(c1)C(NCCOC)=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.2555 |
| logD: | 5.2552 |
| logSw: | -5.194 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.112 |
| InChI Key: | NXPIXLYBUKGNHX-UHFFFAOYSA-N |