2,5-dimethyl-1-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1H-pyrrole-3-carbaldehyde
Chemical Structure Depiction of
2,5-dimethyl-1-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1H-pyrrole-3-carbaldehyde
2,5-dimethyl-1-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1H-pyrrole-3-carbaldehyde
Compound characteristics
| Compound ID: | 8009-8456 |
| Compound Name: | 2,5-dimethyl-1-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1H-pyrrole-3-carbaldehyde |
| Molecular Weight: | 352.41 |
| Molecular Formula: | C19 H16 N2 O3 S |
| Smiles: | Cc1cc(C=O)c(C)n1c1ccc(cc1)Sc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7195 |
| logD: | 4.7195 |
| logSw: | -4.6434 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.172 |
| InChI Key: | KNPBFLGBPCWAIR-UHFFFAOYSA-N |