4-{4-[6-(4-chlorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazine-1-carbonyl}benzonitrile
Chemical Structure Depiction of
4-{4-[6-(4-chlorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazine-1-carbonyl}benzonitrile
4-{4-[6-(4-chlorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazine-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | S352-0383 |
| Compound Name: | 4-{4-[6-(4-chlorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazine-1-carbonyl}benzonitrile |
| Molecular Weight: | 476.92 |
| Molecular Formula: | C24 H21 Cl N6 O3 |
| Smiles: | C1CN(CCN1C(c1ccc(C#N)cc1)=O)C(c1c2COC(Cn2nn1)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5676 |
| logD: | 1.5676 |
| logSw: | -2.7003 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 84.92 |
| InChI Key: | WPNVNQZGHIGEKT-NRFANRHFSA-N |