1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]hexan-1-one
Chemical Structure Depiction of
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]hexan-1-one
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]hexan-1-one
Compound characteristics
| Compound ID: | K297-1055 |
| Compound Name: | 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]hexan-1-one |
| Molecular Weight: | 463.64 |
| Molecular Formula: | C26 H33 N5 O S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CCCCCNC1c2ccccc2NC(N=1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3485 |
| logD: | 3.2506 |
| logSw: | -4.1928 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.255 |
| InChI Key: | PQTDKPYRXPSYIU-UHFFFAOYSA-N |