5,5-diethyl-2-{[(3-ethyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]methyl}-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
Chemical Structure Depiction of
5,5-diethyl-2-{[(3-ethyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]methyl}-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
5,5-diethyl-2-{[(3-ethyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]methyl}-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | D385-0406 |
| Compound Name: | 5,5-diethyl-2-{[(3-ethyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]methyl}-5,6-dihydrobenzo[h]quinazolin-4(3H)-one |
| Molecular Weight: | 472.61 |
| Molecular Formula: | C27 H28 N4 O2 S |
| Smiles: | CCC1(CC)Cc2ccccc2C2=C1C(NC(CSC1=Nc3ccccc3C(N1CC)=O)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6882 |
| logD: | 4.6682 |
| logSw: | -4.3893 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.558 |
| InChI Key: | ZKFZTRMYCPASFD-UHFFFAOYSA-N |