methyl 3-[2-({6-[4-(cyclopropylcarbamoyl)piperidin-1-yl]pyrimidin-4-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 3-[2-({6-[4-(cyclopropylcarbamoyl)piperidin-1-yl]pyrimidin-4-yl}sulfanyl)acetamido]benzoate
methyl 3-[2-({6-[4-(cyclopropylcarbamoyl)piperidin-1-yl]pyrimidin-4-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | M779-0939 |
| Compound Name: | methyl 3-[2-({6-[4-(cyclopropylcarbamoyl)piperidin-1-yl]pyrimidin-4-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C23 H27 N5 O4 S |
| Smiles: | COC(c1cccc(c1)NC(CSc1cc(ncn1)N1CCC(CC1)C(NC1CC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2266 |
| logD: | 3.2265 |
| logSw: | -3.4837 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.847 |
| InChI Key: | BEXXLBNAGVOJGV-UHFFFAOYSA-N |