3-(3-chlorophenyl)-2-({[4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
3-(3-chlorophenyl)-2-({[4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinazolin-4(3H)-one
3-(3-chlorophenyl)-2-({[4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 8017-4221 |
| Compound Name: | 3-(3-chlorophenyl)-2-({[4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinazolin-4(3H)-one |
| Molecular Weight: | 504.95 |
| Molecular Formula: | C24 H17 Cl N6 O3 S |
| Smiles: | Cn1c(c2ccc(cc2)[N+]([O-])=O)nnc1SCC1=Nc2ccccc2C(N1c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1577 |
| logD: | 4.1203 |
| logSw: | -4.4985 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 83.06 |
| InChI Key: | YCJFGOPCEPSADL-UHFFFAOYSA-N |