1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-({4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-({4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-({4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | L850-1649 |
| Compound Name: | 1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-({4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 462.53 |
| Molecular Formula: | C23 H22 N6 O3 S |
| Smiles: | Cc1ccc(cc1)c1nc(c2nnc(n2C)SCC(N2CCOc3ccc(C)cc23)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.1598 |
| logD: | 4.1598 |
| logSw: | -4.2451 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.736 |
| InChI Key: | ZOOHFRYCZZACLO-UHFFFAOYSA-N |