N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
Chemical Structure Depiction of
N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
Compound characteristics
| Compound ID: | 5182-2771 |
| Compound Name: | N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide |
| Molecular Weight: | 491.42 |
| Molecular Formula: | C21 H16 Cl2 N4 O2 S2 |
| Smiles: | Cc1c(C(NC(Nc2c(C#N)c3CCCCc3s2)=S)=O)c(c2c(cccc2[Cl])[Cl])no1 |
| Stereo: | ACHIRAL |
| logP: | 5.2664 |
| logD: | 4.9199 |
| logSw: | -5.8804 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.971 |
| InChI Key: | ZJUSXZVMLXZJDW-UHFFFAOYSA-N |