(3-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}phenyl)(4-methylpiperazin-1-yl)methanone
Chemical Structure Depiction of
(3-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}phenyl)(4-methylpiperazin-1-yl)methanone
(3-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}phenyl)(4-methylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V003-2137 |
| Compound Name: | (3-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}phenyl)(4-methylpiperazin-1-yl)methanone |
| Molecular Weight: | 577.79 |
| Molecular Formula: | C32 H43 N5 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1cc(nc(n1)SCc1cccc(c1)C(N1CCN(C)CC1)=O)N(C)CCc1ccc(c(c1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.9318 |
| logD: | 4.8011 |
| logSw: | -4.7467 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.042 |
| InChI Key: | ZZVLIVDJYSHKGI-UHFFFAOYSA-N |