3,3'-(ethane-1,2-diyl)bis[2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one]
Chemical Structure Depiction of
3,3'-(ethane-1,2-diyl)bis[2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one]
3,3'-(ethane-1,2-diyl)bis[2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one]
Compound characteristics
| Compound ID: | K284-2329 |
| Compound Name: | 3,3'-(ethane-1,2-diyl)bis[2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one] |
| Molecular Weight: | 652.71 |
| Molecular Formula: | C32 H24 N6 O6 S2 |
| Smiles: | C(CN1C(=Nc2ccccc2C1=O)SCc1cccc(c1)[N+]([O-])=O)N1C(=Nc2ccccc2C1=O)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6004 |
| logD: | 5.6004 |
| logSw: | -5.8243 |
| Hydrogen bond acceptors count: | 16 |
| Polar surface area: | 118.295 |
| InChI Key: | FOCRXVUQUXSDBQ-UHFFFAOYSA-N |