N'-[(3Z)-2-oxo-1-{[(1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl}-2,3-dihydro-1H-indol-3-ylidene]acetohydrazide

• ChemBase ID: 217015
• Molecular Formular: C22H23N5O3
• Molecular Mass: 405.44972
• Monoisotopic Mass: 405.18008962
• SMILES: N1(C(=O)/C(=N\NC(=O)C)/c2c1cccc2)CN1C[C@H]2c3n(c(=O)ccc3)CC(C2)C1
• Canonical SMILES: CC(=O)N/N=C\1/c2ccccc2N(C1=O)CN1CC2C[C@@H](C1)c1n(C2)c(=O)ccc1
• InChI: InChI=1S/C22H23N5O3/c1-14(28)23-24-21-17-5-2-3-6-19(17)27(22(21)30)13-25-10-15-9-16(12-25)18-7-4-8-20(29)26(18)11-15/h2-8,15-16H,9-13H2,1H3,(H,23,28)/b24-21-
• InChIKey: FCYNOZASMBGRLI-FLFQWRMESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-[(3Z)-2-oxo-1-{[(1S)-6-oxo-7,11-diazatricyclo[7.3.1.0^2,^7]trideca-2,4-dien-11-yl]methyl}-2,3-dihydro-1H-indol-3-ylidene]acetohydrazide
• IUPAC Traditional name: N'-[(3Z)-2-oxo-1-{[(1S)-6-oxo-7,11-diazatricyclo[7.3.1.0^2,^7]trideca-2,4-dien-11-yl]methyl}indol-3-ylidene]acetohydrazide

Database IDs

• PubChem SID: 164272925
• PubChem CID: 45356332

CALCULATED PROPERTIES

• Acid pKa: 11.596612
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.9407609
• LogD (pH = 7.4): 0.20212679
• Log P: 0.2805921
• Molar Refractivity: 113.5774 cm^3
• Polarizability: 42.265266 Å^3
• Polar Surface Area: 85.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Isomers
• Classification: Derivatives & analogs of Natural Compounds