N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[6-(morpholin-4-yl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[6-(morpholin-4-yl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[6-(morpholin-4-yl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide
Compound characteristics
| Compound ID: | K284-6467 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[6-(morpholin-4-yl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide |
| Molecular Weight: | 560.67 |
| Molecular Formula: | C30 H32 N4 O5 S |
| Smiles: | COc1ccc(CCNC(c2ccc(CN3C(c4cc(ccc4NC3=S)N3CCOCC3)=O)cc2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.9986 |
| logD: | 2.9981 |
| logSw: | -3.5252 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.195 |
| InChI Key: | XBZAYGQOSAFLFM-UHFFFAOYSA-N |