N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[8-oxo-6-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[8-oxo-6-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[8-oxo-6-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide
Compound characteristics
| Compound ID: | K284-5686 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[8-oxo-6-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide |
| Molecular Weight: | 629.69 |
| Molecular Formula: | C32 H31 N5 O7 S |
| Smiles: | COc1ccc(CCNC(CCCN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC2=CC(N3C=CC=CC3=N2)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.0107 |
| logD: | 2.0106 |
| logSw: | -2.8734 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.425 |
| InChI Key: | UKRZOEOCRPWEPC-UHFFFAOYSA-N |