methyl 4-({1-[6-(thiomorpholin-4-yl)pyrimidin-4-yl]piperidine-4-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({1-[6-(thiomorpholin-4-yl)pyrimidin-4-yl]piperidine-4-carbonyl}amino)benzoate
methyl 4-({1-[6-(thiomorpholin-4-yl)pyrimidin-4-yl]piperidine-4-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | P510-0646 |
| Compound Name: | methyl 4-({1-[6-(thiomorpholin-4-yl)pyrimidin-4-yl]piperidine-4-carbonyl}amino)benzoate |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C22 H27 N5 O3 S |
| Smiles: | COC(c1ccc(cc1)NC(C1CCN(CC1)c1cc(ncn1)N1CCSCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7562 |
| logD: | 3.7387 |
| logSw: | -3.9564 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.145 |
| InChI Key: | YUVGYAVJNHYFOW-UHFFFAOYSA-N |