N-[2-(3,4-dimethoxyphenyl)ethyl]-4-({8-oxo-6-[(2-oxo-2-phenylethyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}methyl)benzamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-({8-oxo-6-[(2-oxo-2-phenylethyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}methyl)benzamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-({8-oxo-6-[(2-oxo-2-phenylethyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}methyl)benzamide
Compound characteristics
| Compound ID: | K284-5885 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-({8-oxo-6-[(2-oxo-2-phenylethyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}methyl)benzamide |
| Molecular Weight: | 637.71 |
| Molecular Formula: | C35 H31 N3 O7 S |
| Smiles: | COc1ccc(CCNC(c2ccc(CN3C(=Nc4cc5c(cc4C3=O)OCO5)SCC(c3ccccc3)=O)cc2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.7027 |
| logD: | 4.7027 |
| logSw: | -4.4055 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.649 |
| InChI Key: | OYIBFWNQZXLXCP-UHFFFAOYSA-N |