ethyl 2-{[(4-bromo-1,3-dimethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(4-bromo-1,3-dimethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[(4-bromo-1,3-dimethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-0119 |
| Compound Name: | ethyl 2-{[(4-bromo-1,3-dimethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 485.42 |
| Molecular Formula: | C18 H21 Br N4 O3 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(NC(c1c(c(C)nn1C)[Br])=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8015 |
| logD: | 1.6954 |
| logSw: | -4.1946 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.577 |
| InChI Key: | KABJGCZJYCOOTH-UHFFFAOYSA-N |