N-[(2H-1,3-benzodioxol-5-yl)methyl]-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]methyl}benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-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]methyl}benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-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]methyl}benzamide
Compound characteristics
| Compound ID: | K284-5857 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-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]methyl}benzamide |
| Molecular Weight: | 647.67 |
| Molecular Formula: | C34 H25 N5 O7 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc(CN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC2=CC(N3C=CC=CC3=N2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2395 |
| logD: | 4.2395 |
| logSw: | -4.4419 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.402 |
| InChI Key: | GTDWSPHQOLFQNV-UHFFFAOYSA-N |