4-[6-({2-[(2-methoxyethyl)amino]-2-oxoethyl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[(4-methoxyphenyl)methyl]butanamide
Chemical Structure Depiction of
4-[6-({2-[(2-methoxyethyl)amino]-2-oxoethyl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[(4-methoxyphenyl)methyl]butanamide
4-[6-({2-[(2-methoxyethyl)amino]-2-oxoethyl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[(4-methoxyphenyl)methyl]butanamide
Compound characteristics
Compound ID: | K284-5609 |
Compound Name: | 4-[6-({2-[(2-methoxyethyl)amino]-2-oxoethyl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[(4-methoxyphenyl)methyl]butanamide |
Molecular Weight: | 542.61 |
Molecular Formula: | C26 H30 N4 O7 S |
Smiles: | COCCNC(CSC1=Nc2cc3c(cc2C(N1CCCC(NCc1ccc(cc1)OC)=O)=O)OCO3)=O |
Stereo: | ACHIRAL |
logP: | 1.6202 |
logD: | 1.6202 |
logSw: | -2.6358 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 107.807 |
InChI Key: | RNQBISJZTASVGW-UHFFFAOYSA-N |