N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[6-{[2-(butylamino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[6-{[2-(butylamino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[6-{[2-(butylamino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]propanamide
Compound characteristics
| Compound ID: | K284-5502 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[6-{[2-(butylamino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]propanamide |
| Molecular Weight: | 540.59 |
| Molecular Formula: | C26 H28 N4 O7 S |
| Smiles: | CCCCNC(CSC1=Nc2cc3c(cc2C(N1CCC(NCc1ccc2c(c1)OCO2)=O)=O)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1238 |
| logD: | 3.1238 |
| logSw: | -3.4835 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.036 |
| InChI Key: | GTEYGAYCXMYKQJ-UHFFFAOYSA-N |