N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[6-({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}benzamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[6-({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}benzamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[6-({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}benzamide
Compound characteristics
| Compound ID: | K284-5906 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[6-({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}benzamide |
| Molecular Weight: | 646.76 |
| Molecular Formula: | C34 H38 N4 O7 S |
| Smiles: | CC(C)CCNC(CSC1=Nc2cc3c(cc2C(N1Cc1ccc(cc1)C(NCCc1ccc(c(c1)OC)OC)=O)=O)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2295 |
| logD: | 4.2295 |
| logSw: | -4.2104 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.987 |
| InChI Key: | MKSCTLXYQKEXQS-UHFFFAOYSA-N |