4-({6-[(2-amino-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-amino-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-amino-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: | K284-5899 |
| Compound Name: | 4-({6-[(2-amino-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: | 576.63 |
| Molecular Formula: | C29 H28 N4 O7 S |
| Smiles: | COc1ccc(CCNC(c2ccc(CN3C(=Nc4cc5c(cc4C3=O)OCO5)SCC(N)=O)cc2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.5195 |
| logD: | 2.5195 |
| logSw: | -3.066 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 116.062 |
| InChI Key: | QWQFFBHLVHREDD-UHFFFAOYSA-N |