4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]phenyl 1-methyl-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]phenyl 1-methyl-1H-pyrazole-3-carboxylate
4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]phenyl 1-methyl-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 8016-8142 |
| Compound Name: | 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]phenyl 1-methyl-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C21 H18 N4 O3 S |
| Smiles: | Cn1ccc(C(=O)Oc2ccc(cc2)C(Nc2c(C#N)c3CCCCc3s2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.0324 |
| logD: | 0.7295 |
| logSw: | -3.6419 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.171 |
| InChI Key: | HEGRFGTYGNEFSG-UHFFFAOYSA-N |