2-butyl-7-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-butyl-7-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-butyl-7-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | 8015-4193 |
| Compound Name: | 2-butyl-7-[4-(4-chloro-2-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[N+]([O-])=O)[Cl])S1 |
| Stereo: | ACHIRAL |
| logP: | 4.261 |
| logD: | 4.2402 |
| logSw: | -4.5457 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.583 |
| InChI Key: | BKYFNPKJCDHHPV-UHFFFAOYSA-N |