3-methyl-2-[4-(prop-2-en-1-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]-7,8-dihydropyrrolo[1,2-a]thieno[2,3-d]pyrimidin-4(6H)-one
Chemical Structure Depiction of
3-methyl-2-[4-(prop-2-en-1-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]-7,8-dihydropyrrolo[1,2-a]thieno[2,3-d]pyrimidin-4(6H)-one
3-methyl-2-[4-(prop-2-en-1-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]-7,8-dihydropyrrolo[1,2-a]thieno[2,3-d]pyrimidin-4(6H)-one
Compound characteristics
| Compound ID: | G857-1082 |
| Compound Name: | 3-methyl-2-[4-(prop-2-en-1-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]-7,8-dihydropyrrolo[1,2-a]thieno[2,3-d]pyrimidin-4(6H)-one |
| Molecular Weight: | 345.44 |
| Molecular Formula: | C15 H15 N5 O S2 |
| Smiles: | Cc1c2C(N3CCCC3=Nc2sc1C1=NNC(N1CC=C)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2933 |
| logD: | 1.9832 |
| logSw: | -2.3461 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.253 |
| InChI Key: | ZIDNHBLGQJJPNB-UHFFFAOYSA-N |