N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[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]propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[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]propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[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]propanamide
Compound characteristics
| Compound ID: | K284-5498 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[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]propanamide |
| Molecular Weight: | 585.59 |
| Molecular Formula: | C29 H23 N5 O7 S |
| Smiles: | C(CN1C(=Nc2cc3c(cc2C1=O)OCO3)SCC1=CC(N2C=CC=CC2=N1)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8852 |
| logD: | 2.8852 |
| logSw: | -3.6337 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.438 |
| InChI Key: | CMFOHOKUMLUZJB-UHFFFAOYSA-N |