N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{6-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}butanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{6-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}butanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{6-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}butanamide
Compound characteristics
| Compound ID: | K284-5702 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{6-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}butanamide |
| Molecular Weight: | 692.79 |
| Molecular Formula: | C35 H40 N4 O9 S |
| Smiles: | COc1ccc(CCNC(CCCN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC(NCCc2ccc(c(c2)OC)OC)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.8874 |
| logD: | 1.8874 |
| logSw: | -2.7454 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 122.012 |
| InChI Key: | QPMUQTXXPOMBKK-UHFFFAOYSA-N |