1-methyl-5-{[(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]carbamoyl}-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
1-methyl-5-{[(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]carbamoyl}-1H-pyrazole-4-carboxylic acid
1-methyl-5-{[(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]carbamoyl}-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-6327 |
| Compound Name: | 1-methyl-5-{[(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]carbamoyl}-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 319.38 |
| Molecular Formula: | C15 H17 N3 O3 S |
| Smiles: | Cn1c(C(NCc2cc3CCCCc3s2)=O)c(cn1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2135 |
| logD: | -1.5621 |
| logSw: | -2.5457 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.515 |
| InChI Key: | XXYTUXHLSJPTJI-UHFFFAOYSA-N |