N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide
Compound characteristics
| Compound ID: | K284-5417 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide |
| Molecular Weight: | 519.58 |
| Molecular Formula: | C27 H25 N3 O6 S |
| Smiles: | COc1ccc(CCNC(c2ccc(CN3C(c4cc5c(cc4NC3=S)OCO5)=O)cc2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.2995 |
| logD: | 3.2924 |
| logSw: | -3.5956 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.949 |
| InChI Key: | VOQLKVDTZTVUGG-UHFFFAOYSA-N |