methyl 3-chloro-6-({[3-(1-ethyl-1H-pyrazol-4-yl)prop-2-enoyl]carbamothioyl}amino)-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-chloro-6-({[3-(1-ethyl-1H-pyrazol-4-yl)prop-2-enoyl]carbamothioyl}amino)-1-benzothiophene-2-carboxylate
methyl 3-chloro-6-({[3-(1-ethyl-1H-pyrazol-4-yl)prop-2-enoyl]carbamothioyl}amino)-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y503-4630 |
| Compound Name: | methyl 3-chloro-6-({[3-(1-ethyl-1H-pyrazol-4-yl)prop-2-enoyl]carbamothioyl}amino)-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 448.95 |
| Molecular Formula: | C19 H17 Cl N4 O3 S2 |
| Smiles: | CCn1cc(/C=C/C(NC(Nc2ccc3c(c(C(=O)OC)sc3c2)[Cl])=S)=O)cn1 |
| Stereo: | ACHIRAL |
| logP: | 4.0058 |
| logD: | 4.0043 |
| logSw: | -4.604 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.449 |
| InChI Key: | UIPMCVHWHWRPJR-UHFFFAOYSA-N |