methyl 3-({1-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}carbamoyl)benzoate
Chemical Structure Depiction of
methyl 3-({1-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}carbamoyl)benzoate
methyl 3-({1-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}carbamoyl)benzoate
Compound characteristics
| Compound ID: | P014-0199 |
| Compound Name: | methyl 3-({1-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}carbamoyl)benzoate |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C22 H22 N4 O4 S |
| Smiles: | COC(c1cccc(c1)C(NC1CCN(CC1)C(c1cc(c2cccs2)n[nH]1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9963 |
| logD: | 2.9961 |
| logSw: | -3.3977 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.515 |
| InChI Key: | HNRZCTRCQZABEN-UHFFFAOYSA-N |