6,6-dimethyl-2-{[(naphthalen-1-yl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
Chemical Structure Depiction of
6,6-dimethyl-2-{[(naphthalen-1-yl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
6,6-dimethyl-2-{[(naphthalen-1-yl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
Compound characteristics
| Compound ID: | D718-0116 |
| Compound Name: | 6,6-dimethyl-2-{[(naphthalen-1-yl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one |
| Molecular Weight: | 388.49 |
| Molecular Formula: | C22 H20 N4 O S |
| Smiles: | CC1(C)CC2C(=Cn3c(N=2)nc(n3)SCc2cccc3ccccc23)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2427 |
| logD: | 4.2427 |
| logSw: | -4.3852 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.121 |
| InChI Key: | ZVBPJYHXQBMCKM-UHFFFAOYSA-N |