2-{[(3-methoxyphenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(3-methoxyphenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one
2-{[(3-methoxyphenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | V002-7412 |
| Compound Name: | 2-{[(3-methoxyphenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one |
| Molecular Weight: | 419.46 |
| Molecular Formula: | C22 H17 N3 O4 S |
| Smiles: | COc1cccc(CSC2=Nc3ccccc3C(N2c2ccc(cc2)[N+]([O-])=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.1574 |
| logD: | 4.1573 |
| logSw: | -4.4122 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.085 |
| InChI Key: | LXYJGVMFIXGPMQ-UHFFFAOYSA-N |