N-[(3-methoxyphenyl)methyl]-4-{[6-(morpholin-4-yl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-4-{[6-(morpholin-4-yl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide
N-[(3-methoxyphenyl)methyl]-4-{[6-(morpholin-4-yl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide
Compound characteristics
| Compound ID: | K284-6494 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-4-{[6-(morpholin-4-yl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide |
| Molecular Weight: | 516.62 |
| Molecular Formula: | C28 H28 N4 O4 S |
| Smiles: | COc1cccc(CNC(c2ccc(CN3C(c4cc(ccc4NC3=S)N3CCOCC3)=O)cc2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.6453 |
| logD: | 3.6448 |
| logSw: | -3.9931 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.636 |
| InChI Key: | CQQLAHXMQBYCJX-UHFFFAOYSA-N |