N-(2-ethylhexyl)-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}benzamide
Chemical Structure Depiction of
N-(2-ethylhexyl)-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}benzamide
N-(2-ethylhexyl)-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}benzamide
Compound characteristics
| Compound ID: | K297-0673 |
| Compound Name: | N-(2-ethylhexyl)-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}benzamide |
| Molecular Weight: | 422.59 |
| Molecular Formula: | C24 H30 N4 O S |
| Smiles: | CCCCC(CC)CNC(c1ccc(CNC2c3ccccc3NC(N=2)=S)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9527 |
| logD: | 3.142 |
| logSw: | -4.7379 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 55.747 |
| InChI Key: | MGOMNFFTIZXVSY-KRWDZBQOSA-N |