4-{[6-{[(4-tert-butylphenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
Chemical Structure Depiction of
4-{[6-{[(4-tert-butylphenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
4-{[6-{[(4-tert-butylphenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
Compound characteristics
| Compound ID: | K284-5889 |
| Compound Name: | 4-{[6-{[(4-tert-butylphenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide |
| Molecular Weight: | 665.81 |
| Molecular Formula: | C38 H39 N3 O6 S |
| Smiles: | CC(C)(C)c1ccc(CSC2=Nc3cc4c(cc3C(N2Cc2ccc(cc2)C(NCCc2ccc(c(c2)OC)OC)=O)=O)OCO4)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.7996 |
| logD: | 6.7996 |
| logSw: | -5.5679 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.402 |
| InChI Key: | CCVSXLQLARCXOB-UHFFFAOYSA-N |