6,6-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
Chemical Structure Depiction of
6,6-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
6,6-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
Compound characteristics
| Compound ID: | Y020-7505 |
| Compound Name: | 6,6-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one |
| Molecular Weight: | 383.43 |
| Molecular Formula: | C18 H17 N5 O3 S |
| Smiles: | CC1(C)CC2C(=Cn3c(N=2)nc(n3)SCc2ccc(cc2)[N+]([O-])=O)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6607 |
| logD: | 2.6607 |
| logSw: | -2.8437 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.774 |
| InChI Key: | YRIKTAQLPYVYEW-UHFFFAOYSA-N |