methyl 3-[4-({[4,5-dimethyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamido]benzoate
Chemical Structure Depiction of
methyl 3-[4-({[4,5-dimethyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamido]benzoate
methyl 3-[4-({[4,5-dimethyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamido]benzoate
Compound characteristics
| Compound ID: | V015-2423 |
| Compound Name: | methyl 3-[4-({[4,5-dimethyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamido]benzoate |
| Molecular Weight: | 476.6 |
| Molecular Formula: | C26 H28 N4 O3 S |
| Salt: | not_available |
| Smiles: | Cc1c(C)nc(nc1N1CCCC1)SCc1ccc(cc1)C(Nc1cccc(c1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4705 |
| logD: | 5.4685 |
| logSw: | -5.4159 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.854 |
| InChI Key: | VVHJJYFEKGRAQS-UHFFFAOYSA-N |