N-{2-[5-(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-N-methyl-N'-(2-phenylethyl)urea
Chemical Structure Depiction of
N-{2-[5-(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-N-methyl-N'-(2-phenylethyl)urea
N-{2-[5-(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-N-methyl-N'-(2-phenylethyl)urea
Compound characteristics
| Compound ID: | SC01-0096 |
| Compound Name: | N-{2-[5-(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-N-methyl-N'-(2-phenylethyl)urea |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C22 H28 N6 O3 |
| Smiles: | CCn1c2CCOCc2c(c2nc(CCN(C)C(NCCc3ccccc3)=O)no2)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.9031 |
| logD: | 1.9031 |
| logSw: | -2.2256 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.803 |
| InChI Key: | AHJNTXJBWQNSPF-UHFFFAOYSA-N |