6-{6-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}-N-[(4-methoxyphenyl)methyl]hexanamide
Chemical Structure Depiction of
6-{6-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}-N-[(4-methoxyphenyl)methyl]hexanamide
6-{6-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}-N-[(4-methoxyphenyl)methyl]hexanamide
Compound characteristics
| Compound ID: | K284-5751 |
| Compound Name: | 6-{6-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}-N-[(4-methoxyphenyl)methyl]hexanamide |
| Molecular Weight: | 676.79 |
| Molecular Formula: | C35 H40 N4 O8 S |
| Smiles: | COc1ccc(CNC(CCCCCN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC(NCCc2ccc(c(c2)OC)OC)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.588 |
| logD: | 3.588 |
| logSw: | -3.8475 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.454 |
| InChI Key: | GALSZBDULRWOIC-UHFFFAOYSA-N |