2-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-3-ethylquinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-3-ethylquinazolin-4(3H)-one
2-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-3-ethylquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 3448-6938 |
| Compound Name: | 2-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-3-ethylquinazolin-4(3H)-one |
| Molecular Weight: | 375.83 |
| Molecular Formula: | C17 H14 Cl N3 O3 S |
| Smiles: | CCN1C(=Nc2ccccc2C1=O)SCc1c(cccc1[Cl])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0771 |
| logD: | 4.0771 |
| logSw: | -4.3877 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.848 |
| InChI Key: | FZLLYFQBIHZSQA-UHFFFAOYSA-N |