6-{[(4-tert-butylphenyl)methyl]sulfanyl}-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Chemical Structure Depiction of
6-{[(4-tert-butylphenyl)methyl]sulfanyl}-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
6-{[(4-tert-butylphenyl)methyl]sulfanyl}-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Compound characteristics
| Compound ID: | K284-5549 |
| Compound Name: | 6-{[(4-tert-butylphenyl)methyl]sulfanyl}-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one |
| Molecular Weight: | 584.74 |
| Molecular Formula: | C33 H36 N4 O4 S |
| Smiles: | CC(C)(C)c1ccc(CSC2=Nc3cc4c(cc3C(N2CCC(N2CCN(CC2)c2ccccc2)=O)=O)OCO4)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.076 |
| logD: | 6.0759 |
| logSw: | -5.4203 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.518 |
| InChI Key: | SGZQRNIOWOFZAI-UHFFFAOYSA-N |