N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)propanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)propanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)propanamide
Compound characteristics
| Compound ID: | K288-0409 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)propanamide |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C21 H23 N3 O4 S |
| Smiles: | COc1ccc(CCNC(CCN2C(c3ccccc3NC2=S)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.8937 |
| logD: | 1.8923 |
| logSw: | -2.9357 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.87 |
| InChI Key: | VNJXETDYOLMRJS-UHFFFAOYSA-N |