6-[6-({2-[(butan-2-yl)amino]-2-oxoethyl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
Chemical Structure Depiction of
6-[6-({2-[(butan-2-yl)amino]-2-oxoethyl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
6-[6-({2-[(butan-2-yl)amino]-2-oxoethyl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
Compound characteristics
| Compound ID: | K284-5824 |
| Compound Name: | 6-[6-({2-[(butan-2-yl)amino]-2-oxoethyl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide |
| Molecular Weight: | 612.75 |
| Molecular Formula: | C31 H40 N4 O7 S |
| Smiles: | CCC(C)NC(CSC1=Nc2cc3c(cc2C(N1CCCCCC(NCCc1ccc(c(c1)OC)OC)=O)=O)OCO3)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0716 |
| logD: | 3.0716 |
| logSw: | -3.5119 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.623 |
| InChI Key: | FZCJZHFIOUGDMI-FQEVSTJZSA-N |