N-[2-(4-chlorophenyl)ethyl]-4-{[6-(morpholin-4-yl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-4-{[6-(morpholin-4-yl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide
N-[2-(4-chlorophenyl)ethyl]-4-{[6-(morpholin-4-yl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide
Compound characteristics
| Compound ID: | K284-6470 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-4-{[6-(morpholin-4-yl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide |
| Molecular Weight: | 535.06 |
| Molecular Formula: | C28 H27 Cl N4 O3 S |
| Smiles: | C(CNC(c1ccc(CN2C(c3cc(ccc3NC2=S)N2CCOCC2)=O)cc1)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.0763 |
| logD: | 4.0757 |
| logSw: | -4.614 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.934 |
| InChI Key: | RKJKIYHSEWQSLH-UHFFFAOYSA-N |