7-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | 8015-3954 |
| Compound Name: | 7-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 434.9 |
| Molecular Formula: | C18 H19 Cl N6 O3 S |
| Smiles: | CCCC1=NN2C(=NC(=CC2=O)N2CCN(CC2)c2ccc(cc2[N+]([O-])=O)[Cl])S1 |
| Stereo: | ACHIRAL |
| logP: | 3.8216 |
| logD: | 3.7355 |
| logSw: | -4.3719 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.583 |
| InChI Key: | NZIXXMWHOYQNIT-UHFFFAOYSA-N |