6-{[(4-tert-butylphenyl)methyl]sulfanyl}-7-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Chemical Structure Depiction of
6-{[(4-tert-butylphenyl)methyl]sulfanyl}-7-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
6-{[(4-tert-butylphenyl)methyl]sulfanyl}-7-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Compound characteristics
| Compound ID: | K284-5928 |
| Compound Name: | 6-{[(4-tert-butylphenyl)methyl]sulfanyl}-7-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one |
| Molecular Weight: | 646.81 |
| Molecular Formula: | C38 H38 N4 O4 S |
| Smiles: | CC(C)(C)c1ccc(CSC2=Nc3cc4c(cc3C(N2Cc2ccc(cc2)C(N2CCN(CC2)c2ccccc2)=O)=O)OCO4)cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.3994 |
| logD: | 7.3994 |
| logSw: | -5.588 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.795 |
| InChI Key: | XXBYQANCGHVJGZ-UHFFFAOYSA-N |