7-({[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-({[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
7-({[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G072-0377 |
| Compound Name: | 7-({[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 385.46 |
| Molecular Formula: | C17 H15 N5 O2 S2 |
| Smiles: | CC1=CSC2=NC(CSc3nnc(c4ccc(cc4)OC)[nH]3)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1965 |
| logD: | 1.0048 |
| logSw: | -2.4852 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.637 |
| InChI Key: | NIHUCNXRGVHDKT-UHFFFAOYSA-N |