2-{[(2-methoxyphenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(2-methoxyphenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one
2-{[(2-methoxyphenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | V007-2294 |
| Compound Name: | 2-{[(2-methoxyphenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one |
| Molecular Weight: | 419.46 |
| Molecular Formula: | C22 H17 N3 O4 S |
| Smiles: | COc1ccccc1CSC1=Nc2ccccc2C(N1c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2061 |
| logD: | 4.206 |
| logSw: | -4.4706 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.171 |
| InChI Key: | WATXWAQOCQEPCJ-UHFFFAOYSA-N |