methyl 3-({1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]piperidine-4-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 3-({1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]piperidine-4-carbonyl}amino)benzoate
methyl 3-({1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]piperidine-4-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | P510-0376 |
| Compound Name: | methyl 3-({1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]piperidine-4-carbonyl}amino)benzoate |
| Molecular Weight: | 409.49 |
| Molecular Formula: | C22 H27 N5 O3 |
| Smiles: | COC(c1cccc(c1)NC(C1CCN(CC1)c1cc(ncn1)N1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0767 |
| logD: | 4.0753 |
| logSw: | -4.1732 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.511 |
| InChI Key: | JQJXSGSAEKTGRL-UHFFFAOYSA-N |