2-(2-methylphenyl)-7-[4-(thiophene-2-carbonyl)piperazin-1-yl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-(2-methylphenyl)-7-[4-(thiophene-2-carbonyl)piperazin-1-yl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-(2-methylphenyl)-7-[4-(thiophene-2-carbonyl)piperazin-1-yl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
Compound ID: | F529-0082 |
Compound Name: | 2-(2-methylphenyl)-7-[4-(thiophene-2-carbonyl)piperazin-1-yl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
Molecular Weight: | 437.54 |
Molecular Formula: | C21 H19 N5 O2 S2 |
Smiles: | Cc1ccccc1C1=NN2C(=NC(=CC2=O)N2CCN(CC2)C(c2cccs2)=O)S1 |
Stereo: | ACHIRAL |
logP: | 3.0818 |
logD: | 3.0777 |
logSw: | -3.3567 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 58.843 |
InChI Key: | RQBRBDRHUAPYGI-UHFFFAOYSA-N |