2-butyl-7-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-butyl-7-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-butyl-7-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | 8015-3953 |
| Compound Name: | 2-butyl-7-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 448.93 |
| Molecular Formula: | C19 H21 Cl N6 O3 S |
| Smiles: | CCCCC1=NN2C(=NC(=CC2=O)N2CCN(CC2)c2ccc(cc2[Cl])[N+]([O-])=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.4659 |
| logD: | 4.4451 |
| logSw: | -4.6529 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.884 |
| InChI Key: | JQCVSCWLIXKBHK-UHFFFAOYSA-N |