N-[(4-chlorophenyl)methyl]-4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzamide
N-[(4-chlorophenyl)methyl]-4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzamide
Compound characteristics
| Compound ID: | K284-7509 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzamide |
| Molecular Weight: | 524.04 |
| Molecular Formula: | C27 H26 Cl N3 O4 S |
| Smiles: | CCOc1cc2C(N(Cc3ccc(cc3)C(NCc3ccc(cc3)[Cl])=O)C(Nc2cc1OCC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4225 |
| logD: | 4.4154 |
| logSw: | -4.6141 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.152 |
| InChI Key: | ZUPKLBCTYPNOJI-UHFFFAOYSA-N |