methyl 2-[(4-chloro-1,5-dimethyl-1H-pyrazole-3-carbonyl)amino]-4-phenylthiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(4-chloro-1,5-dimethyl-1H-pyrazole-3-carbonyl)amino]-4-phenylthiophene-3-carboxylate
methyl 2-[(4-chloro-1,5-dimethyl-1H-pyrazole-3-carbonyl)amino]-4-phenylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-1434 |
| Compound Name: | methyl 2-[(4-chloro-1,5-dimethyl-1H-pyrazole-3-carbonyl)amino]-4-phenylthiophene-3-carboxylate |
| Molecular Weight: | 389.86 |
| Molecular Formula: | C18 H16 Cl N3 O3 S |
| Smiles: | Cc1c(c(C(Nc2c(C(=O)OC)c(cs2)c2ccccc2)=O)nn1C)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.4462 |
| logD: | 3.1628 |
| logSw: | -4.7301 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.059 |
| InChI Key: | DSXVYBDJQDOXAM-UHFFFAOYSA-N |