N-[(4-methoxyphenyl)methyl]-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide
N-[(4-methoxyphenyl)methyl]-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K297-0964 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 436.58 |
| Molecular Formula: | C24 H28 N4 O2 S |
| Smiles: | COc1ccc(CNC(C2CCC(CC2)CNC2c3ccccc3NC(N=2)=S)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7352 |
| logD: | 3.1875 |
| logSw: | -4.1693 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 63.211 |
| InChI Key: | PGALQVPLXMPGRI-UHFFFAOYSA-N |