2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(2-methylpropyl)-3H-1,2,4-triazol-3-one
Properties
- Molecular formula
- C22H27N5O2
- Molar mass
- 393.49 g/mol
- Exact mass
- 393.2165 Da
- logP
- 2.72Crippen estimate
- Polar surface area
- 66.5 Ų
- H-bond donors / acceptors
- 1 / 5
- Rotatable bonds
- 5
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
89848-21-5SMILES
CC(C)Cn1ncn(-c2ccc(N3CCN(c4ccc(O)cc4)CC3)cc2)c1=OInChIKey
XPZRNHUZSSKNRD-UHFFFAOYSA-NInChI
InChI=1S/C22H27N5O2/c1-17(2)15-27-22(29)26(16-23-27)20-5-3-18(4-6-20)24-11-13-25(14-12-24)19-7-9-21(28)10-8-19/h3-10,16-17,28H,11-15H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(2-methylpropyl)-
Work with 2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(2-methylpropyl)-3H-1,2,4-triazol-3-one
Similar compounds
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Tanimoto similarity of circular fingerprints over the whole catalogue.