propyl 2-{[(4-chloro-1-methyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
propyl 2-{[(4-chloro-1-methyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propyl 2-{[(4-chloro-1-methyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-5810 |
| Compound Name: | propyl 2-{[(4-chloro-1-methyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 455 |
| Molecular Formula: | C19 H23 Cl N4 O3 S2 |
| Smiles: | CCCOC(c1c2CCC(C)Cc2sc1NC(NC(c1c(cnn1C)[Cl])=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.66 |
| logD: | 2.5538 |
| logSw: | -4.9093 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.518 |
| InChI Key: | SJGKZGQNUFGEPI-SNVBAGLBSA-N |