2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-0853 |
| Compound Name: | 2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 313.33 |
| Molecular Formula: | C15 H11 N3 O3 S |
| Smiles: | C(c1cccc(c1)[N+]([O-])=O)SC1NC(c2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6719 |
| logD: | 2.5918 |
| logSw: | -3.4875 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.883 |
| InChI Key: | UKUDUZYIAHQMLU-UHFFFAOYSA-N |