N-[2-(3,4-dimethoxyphenyl)ethyl]-4-({6-[(2-{[(furan-2-yl)methyl]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-{[(furan-2-yl)methyl]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-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}methyl)benzamide
Compound characteristics
| Compound ID: | K284-5911 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-({6-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}methyl)benzamide |
| Molecular Weight: | 656.72 |
| Molecular Formula: | C34 H32 N4 O8 S |
| Smiles: | COc1ccc(CCNC(c2ccc(CN3C(=Nc4cc5c(cc4C3=O)OCO5)SCC(NCc3ccco3)=O)cc2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.1125 |
| logD: | 4.1125 |
| logSw: | -4.2501 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.622 |
| InChI Key: | YRCCWVRIGAEYJV-UHFFFAOYSA-N |