N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[6-{[2-(butylamino)-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-(butylamino)-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-(butylamino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide
Compound characteristics
| Compound ID: | K284-5648 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[6-{[2-(butylamino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide |
| Molecular Weight: | 554.62 |
| Molecular Formula: | C27 H30 N4 O7 S |
| Smiles: | CCCCNC(CSC1=Nc2cc3c(cc2C(N1CCCC(NCc1ccc2c(c1)OCO2)=O)=O)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8706 |
| logD: | 2.8706 |
| logSw: | -3.5113 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.036 |
| InChI Key: | KJHUKGRKRUGOKR-UHFFFAOYSA-N |