1-methyl-5-[(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoyl]-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
1-methyl-5-[(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoyl]-1H-pyrazole-4-carboxylic acid
1-methyl-5-[(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoyl]-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-6314 |
| Compound Name: | 1-methyl-5-[(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoyl]-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 306.34 |
| Molecular Formula: | C13 H14 N4 O3 S |
| Smiles: | Cn1c(C(Nc2nc3CCCCc3s2)=O)c(cn1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2547 |
| logD: | -1.9341 |
| logSw: | -2.7414 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.721 |
| InChI Key: | BJQLEZLHEQVPKU-UHFFFAOYSA-N |