1-{4-[6-(4-chlorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl}-3-(furan-2-yl)prop-2-en-1-one
Chemical Structure Depiction of
1-{4-[6-(4-chlorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl}-3-(furan-2-yl)prop-2-en-1-one
1-{4-[6-(4-chlorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl}-3-(furan-2-yl)prop-2-en-1-one
Compound characteristics
| Compound ID: | S352-0376 |
| Compound Name: | 1-{4-[6-(4-chlorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl}-3-(furan-2-yl)prop-2-en-1-one |
| Molecular Weight: | 467.91 |
| Molecular Formula: | C23 H22 Cl N5 O4 |
| Smiles: | C1CN(CCN1C(/C=C/c1ccco1)=O)C(c1c2COC(Cn2nn1)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7544 |
| logD: | 1.7544 |
| logSw: | -2.6277 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 75.086 |
| InChI Key: | PPPMBKPCFMORKG-FQEVSTJZSA-N |