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 |