[3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazol-1-yl](4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
Chemical Structure Depiction of
[3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazol-1-yl](4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
[3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazol-1-yl](4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
Compound characteristics
| Compound ID: | 5795-0017 |
| Compound Name: | [3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazol-1-yl](4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone |
| Molecular Weight: | 368.52 |
| Molecular Formula: | C20 H20 N2 O S2 |
| Smiles: | Cc1c(c(C)n(C(c2cc3CCCCc3s2)=O)n1)Sc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5844 |
| logD: | 4.5844 |
| logSw: | -4.4608 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.5196 |
| InChI Key: | PQNXETCBPWRFNP-UHFFFAOYSA-N |