N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({6-[(2-{[(4-methylphenyl)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-{[(4-methylphenyl)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-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}methyl)benzamide
Compound characteristics
| Compound ID: | K284-5873 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({6-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}methyl)benzamide |
| Molecular Weight: | 650.71 |
| Molecular Formula: | C35 H30 N4 O7 S |
| Smiles: | Cc1ccc(CNC(CSC2=Nc3cc4c(cc3C(N2Cc2ccc(cc2)C(NCc2ccc3c(c2)OCO3)=O)=O)OCO4)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2478 |
| logD: | 5.2478 |
| logSw: | -4.9808 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.887 |
| InChI Key: | YYFMFRRVEPEVTQ-UHFFFAOYSA-N |