N-[(4-methoxyphenyl)methyl]-4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
N-[(4-methoxyphenyl)methyl]-4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-2106 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C24 H27 N3 O3 S |
| Smiles: | COc1ccc(CNC(C2CCC(CC2)CN2C(c3ccccc3NC2=S)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1967 |
| logD: | 4.1956 |
| logSw: | -4.3975 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.467 |
| InChI Key: | KQAJQLHBWNMOLJ-UHFFFAOYSA-N |