2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)quinazolin-4(3H)-one--hydrogen bromide (1/1)
Chemical Structure Depiction of
2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)quinazolin-4(3H)-one--hydrogen bromide (1/1)
2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)quinazolin-4(3H)-one--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 2291-2232 |
| Compound Name: | 2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)quinazolin-4(3H)-one--hydrogen bromide (1/1) |
| Molecular Weight: | 462.32 |
| Molecular Formula: | C19 H15 N3 O4 S |
| Salt: | HBr |
| Smiles: | C=CCN1C(=Nc2ccccc2C1=O)SCC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1023 |
| logD: | 3.1023 |
| logSw: | -3.8173 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.649 |
| InChI Key: | UVKDRKSCQVFACF-UHFFFAOYSA-N |