tert-butyl 4-[3-(4-chlorophenyl)-4-(1H-tetrazol-1-yl)butanoyl]piperazine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-[3-(4-chlorophenyl)-4-(1H-tetrazol-1-yl)butanoyl]piperazine-1-carboxylate
tert-butyl 4-[3-(4-chlorophenyl)-4-(1H-tetrazol-1-yl)butanoyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | IB07-1277 |
| Compound Name: | tert-butyl 4-[3-(4-chlorophenyl)-4-(1H-tetrazol-1-yl)butanoyl]piperazine-1-carboxylate |
| Molecular Weight: | 434.92 |
| Molecular Formula: | C20 H27 Cl N6 O3 |
| Smiles: | CC(C)(C)OC(N1CCN(CC1)C(CC(Cn1cnnn1)c1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.35 |
| logD: | 3.35 |
| logSw: | -4.02 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 126.18 |
| InChI Key: | DSMJIYBWDFAPBV-INIZCTEOSA-N |