(4-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}phenyl)(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
(4-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}phenyl)(pyrrolidin-1-yl)methanone
(4-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}phenyl)(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | V003-5990 |
| Compound Name: | (4-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}phenyl)(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 548.75 |
| Molecular Formula: | C31 H40 N4 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1cc(nc(n1)SCc1ccc(cc1)C(N1CCCC1)=O)N(C)CCc1ccc(c(c1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 5.6186 |
| logD: | 5.6115 |
| logSw: | -5.3152 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.932 |
| InChI Key: | XNOKPYKMNLMSKH-UHFFFAOYSA-N |