7-({[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-({[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
7-({[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | Y205-9955 |
| Compound Name: | 7-({[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 382.46 |
| Molecular Formula: | C17 H14 N6 O S2 |
| Smiles: | C=CCn1c(c2ccncc2)nnc1SCC1=CC(N2C=CSC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5054 |
| logD: | 1.504 |
| logSw: | -1.7252 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.603 |
| InChI Key: | WWMXTXMUGVEVQJ-UHFFFAOYSA-N |