5,5-diethyl-2-{[(3-methyl-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-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]methyl}-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
5,5-diethyl-2-{[(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]methyl}-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | D385-0405 |
| Compound Name: | 5,5-diethyl-2-{[(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]methyl}-5,6-dihydrobenzo[h]quinazolin-4(3H)-one |
| Molecular Weight: | 458.58 |
| Molecular Formula: | C26 H26 N4 O2 S |
| Smiles: | CCC1(CC)Cc2ccccc2C2=C1C(NC(CSC1=Nc3ccccc3C(N1C)=O)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0608 |
| logD: | 4.0408 |
| logSw: | -4.1389 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.599 |
| InChI Key: | BKDUPQNGEHEIEA-UHFFFAOYSA-N |