N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({6-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-8-oxo-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-({6-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}methyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({6-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}methyl)benzamide
Compound characteristics
| Compound ID: | K284-5870 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({6-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}methyl)benzamide |
| Molecular Weight: | 626.65 |
| Molecular Formula: | C32 H26 N4 O8 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc(CN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC(NCc2ccco2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.575 |
| logD: | 4.575 |
| logSw: | -4.4496 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 116.636 |
| InChI Key: | MWNWUISNZROBON-UHFFFAOYSA-N |