3,3'-(propane-1,3-diyl)bis[2-{[(4-tert-butylphenyl)methyl]sulfanyl}quinazolin-4(3H)-one]
Chemical Structure Depiction of
3,3'-(propane-1,3-diyl)bis[2-{[(4-tert-butylphenyl)methyl]sulfanyl}quinazolin-4(3H)-one]
3,3'-(propane-1,3-diyl)bis[2-{[(4-tert-butylphenyl)methyl]sulfanyl}quinazolin-4(3H)-one]
Compound characteristics
| Compound ID: | K284-7521 |
| Compound Name: | 3,3'-(propane-1,3-diyl)bis[2-{[(4-tert-butylphenyl)methyl]sulfanyl}quinazolin-4(3H)-one] |
| Molecular Weight: | 688.96 |
| Molecular Formula: | C41 H44 N4 O2 S2 |
| Smiles: | CC(C)(C)c1ccc(CSC2=Nc3ccccc3C(N2CCCN2C(=Nc3ccccc3C2=O)SCc2ccc(cc2)C(C)(C)C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 9.0448 |
| logD: | 9.0448 |
| logSw: | -5.7227 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.532 |
| InChI Key: | AUPLMTJWCMOALL-UHFFFAOYSA-N |