5-ethyl-5-methyl-3-(2-methylprop-2-en-1-yl)-2-sulfanylidene-2,3,5,6-tetrahydrobenzo[h]quinazolin-4(1H)-one
Chemical Structure Depiction of
5-ethyl-5-methyl-3-(2-methylprop-2-en-1-yl)-2-sulfanylidene-2,3,5,6-tetrahydrobenzo[h]quinazolin-4(1H)-one
5-ethyl-5-methyl-3-(2-methylprop-2-en-1-yl)-2-sulfanylidene-2,3,5,6-tetrahydrobenzo[h]quinazolin-4(1H)-one
Compound characteristics
| Compound ID: | D325-0750 |
| Compound Name: | 5-ethyl-5-methyl-3-(2-methylprop-2-en-1-yl)-2-sulfanylidene-2,3,5,6-tetrahydrobenzo[h]quinazolin-4(1H)-one |
| Molecular Weight: | 326.46 |
| Molecular Formula: | C19 H22 N2 O S |
| Smiles: | CCC1(C)Cc2ccccc2C2=C1C(N(CC(C)=C)C(N2)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4044 |
| logD: | 4.3779 |
| logSw: | -4.2802 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.447 |
| InChI Key: | HDZHPKHQORSVBR-IBGZPJMESA-N |