{3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
Chemical Structure Depiction of
{3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
{3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
Compound characteristics
| Compound ID: | 5795-0108 |
| Compound Name: | {3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone |
| Molecular Weight: | 413.52 |
| Molecular Formula: | C20 H19 N3 O3 S2 |
| Smiles: | Cc1c(c(C)n(C(c2cc3CCCCc3s2)=O)n1)Sc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4983 |
| logD: | 4.4983 |
| logSw: | -4.4297 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.6 |
| InChI Key: | UNACQXJBTDIKHJ-UHFFFAOYSA-N |