2-methyl-5-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-7H-[1,2]oxazolo[2,3-a]pyrimidin-7-one
Chemical Structure Depiction of
2-methyl-5-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-7H-[1,2]oxazolo[2,3-a]pyrimidin-7-one
2-methyl-5-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-7H-[1,2]oxazolo[2,3-a]pyrimidin-7-one
Compound characteristics
Compound ID: | G072-1018 |
Compound Name: | 2-methyl-5-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-7H-[1,2]oxazolo[2,3-a]pyrimidin-7-one |
Molecular Weight: | 353.4 |
Molecular Formula: | C17 H15 N5 O2 S |
Smiles: | CC1=CC2=NC(CSc3nnc(c4ccc(C)cc4)[nH]3)=CC(N2O1)=O |
Stereo: | ACHIRAL |
logP: | 1.9563 |
logD: | 0.7797 |
logSw: | -2.3795 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 70.937 |
InChI Key: | MLUYBDLZISTXMJ-UHFFFAOYSA-N |