methyl 5-{[(4-bromophenyl)carbamothioyl]amino}-1H-pyrazole-4-carboxylate
Chemical Structure Depiction of
methyl 5-{[(4-bromophenyl)carbamothioyl]amino}-1H-pyrazole-4-carboxylate
methyl 5-{[(4-bromophenyl)carbamothioyl]amino}-1H-pyrazole-4-carboxylate
Compound characteristics
| Compound ID: | C200-1180 |
| Compound Name: | methyl 5-{[(4-bromophenyl)carbamothioyl]amino}-1H-pyrazole-4-carboxylate |
| Molecular Weight: | 355.21 |
| Molecular Formula: | C12 H11 Br N4 O2 S |
| Smiles: | COC(c1cn[nH]c1NC(Nc1ccc(cc1)[Br])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9639 |
| logD: | 2.9604 |
| logSw: | -3.5503 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 64.566 |
| InChI Key: | MPTGDDIPHHYODF-UHFFFAOYSA-N |