N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[6-{[2-(butylamino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]hexanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[6-{[2-(butylamino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]hexanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[6-{[2-(butylamino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]hexanamide
Compound characteristics
| Compound ID: | K284-5782 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[6-{[2-(butylamino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]hexanamide |
| Molecular Weight: | 582.68 |
| Molecular Formula: | C29 H34 N4 O7 S |
| Smiles: | CCCCNC(CSC1=Nc2cc3c(cc2C(N1CCCCCC(NCc1ccc2c(c1)OCO2)=O)=O)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8807 |
| logD: | 3.8807 |
| logSw: | -3.8305 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.036 |
| InChI Key: | YJVUKRUAYWVQHA-UHFFFAOYSA-N |