2-butyl-7-[4-(2-chloro-6-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-6-nitrophenyl)piperazin-1-yl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-butyl-7-[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | 8015-4194 |
| Compound Name: | 2-butyl-7-[4-(2-chloro-6-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)c2c(cccc2[Cl])[N+]([O-])=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.2503 |
| logD: | 4.2294 |
| logSw: | -4.4062 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.283 |
| InChI Key: | WXRUNGIAGMITCT-UHFFFAOYSA-N |