6-ethyl-6-methyl-9-[(2-methylprop-2-en-1-yl)sulfanyl]-11-(prop-2-en-1-yl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Chemical Structure Depiction of
6-ethyl-6-methyl-9-[(2-methylprop-2-en-1-yl)sulfanyl]-11-(prop-2-en-1-yl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
6-ethyl-6-methyl-9-[(2-methylprop-2-en-1-yl)sulfanyl]-11-(prop-2-en-1-yl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Compound characteristics
| Compound ID: | D461-0417 |
| Compound Name: | 6-ethyl-6-methyl-9-[(2-methylprop-2-en-1-yl)sulfanyl]-11-(prop-2-en-1-yl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one |
| Molecular Weight: | 406.55 |
| Molecular Formula: | C23 H26 N4 O S |
| Smiles: | CCC1(C)Cc2ccccc2C2=C1C(N1C(=N2)N(CC=C)N=C1SCC(C)=C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1819 |
| logD: | 5.1814 |
| logSw: | -5.0359 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.819 |
| InChI Key: | CRUMVOJGAKTSSN-QHCPKHFHSA-N |