methyl 3-[2-({4-[1-(3-azidopropanoyl)piperidin-4-yl]-2-methylpyrimidine-5-carbonyl}amino)ethyl]benzoate
Chemical Structure Depiction of
methyl 3-[2-({4-[1-(3-azidopropanoyl)piperidin-4-yl]-2-methylpyrimidine-5-carbonyl}amino)ethyl]benzoate
methyl 3-[2-({4-[1-(3-azidopropanoyl)piperidin-4-yl]-2-methylpyrimidine-5-carbonyl}amino)ethyl]benzoate
Compound characteristics
| Compound ID: | T003-0120 |
| Compound Name: | methyl 3-[2-({4-[1-(3-azidopropanoyl)piperidin-4-yl]-2-methylpyrimidine-5-carbonyl}amino)ethyl]benzoate |
| Molecular Weight: | 479.54 |
| Molecular Formula: | C24 H29 N7 O4 |
| Smiles: | Cc1ncc(C(NCCc2cccc(c2)C(=O)OC)=O)c(C2CCN(CC2)C(CCN=[N+]=[N-])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.3786 |
| logD: | 1.3786 |
| logSw: | -1.9393 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 122.782 |
| InChI Key: | MQHHPVBRURAMDA-UHFFFAOYSA-N |