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}butanamide
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}butanamide
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}butanamide
Compound characteristics
| Compound ID: | K284-5654 |
| 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}butanamide |
| Molecular Weight: | 578.6 |
| Molecular Formula: | C28 H26 N4 O8 S |
| Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)CN1C(=Nc2cc3c(cc2C1=O)OCO3)SCC(NCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9675 |
| logD: | 2.9675 |
| logSw: | -3.5621 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 116.672 |
| InChI Key: | KERIRFRAXUKQBK-UHFFFAOYSA-N |