4-{[6-{[2-(benzylamino)-2-oxoethyl]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-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
4-{[6-{[2-(benzylamino)-2-oxoethyl]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: | K284-5913 |
| Compound Name: | 4-{[6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide |
| Molecular Weight: | 666.75 |
| Molecular Formula: | C36 H34 N4 O7 S |
| Smiles: | COc1ccc(CCNC(c2ccc(CN3C(=Nc4cc5c(cc4C3=O)OCO5)SCC(NCc3ccccc3)=O)cc2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.3619 |
| logD: | 4.3619 |
| logSw: | -4.2719 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.874 |
| InChI Key: | LLMJMQJBQPNBJP-UHFFFAOYSA-N |