{4-[(4-chlorophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazol-1-yl}(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
Chemical Structure Depiction of
{4-[(4-chlorophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazol-1-yl}(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
{4-[(4-chlorophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazol-1-yl}(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
Compound characteristics
| Compound ID: | 5795-0062 |
| Compound Name: | {4-[(4-chlorophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazol-1-yl}(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone |
| Molecular Weight: | 402.96 |
| Molecular Formula: | C20 H19 Cl N2 O S2 |
| Smiles: | Cc1c(c(C)n(C(c2cc3CCCCc3s2)=O)n1)Sc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.3642 |
| logD: | 5.3642 |
| logSw: | -5.8294 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.5196 |
| InChI Key: | VVOQYKPQZRVWDU-UHFFFAOYSA-N |