N-[3-(1H-indazol-1-yl)propyl]-3-[5-(morpholin-4-ylmethyl)-1H-1,2,3,4-tetrazol-1-yl]propanamide

• ChemBase ID: 595465
• Molecular Formular: C19H26N8O2
• Molecular Mass: 398.46214
• Monoisotopic Mass: 398.21787211
• SMILES: c1(n(nnn1)CCC(=O)NCCCn1ncc2c1cccc2)CN1CCOCC1
• Canonical SMILES: O=C(CCn1nnnc1CN1CCOCC1)NCCCn1ncc2c1cccc2
• InChI: InChI=1S/C19H26N8O2/c28-19(20-7-3-8-26-17-5-2-1-4-16(17)14-21-26)6-9-27-18(22-23-24-27)15-25-10-12-29-13-11-25/h1-2,4-5,14H,3,6-13,15H2,(H,20,28)
• InChIKey: ARUXGGUXWCFYOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(1H-indazol-1-yl)propyl]-3-[5-(morpholin-4-ylmethyl)-1H-1,2,3,4-tetrazol-1-yl]propanamide
• IUPAC Traditional name: N-[3-(indazol-1-yl)propyl]-3-[5-(morpholin-4-ylmethyl)-1,2,3,4-tetrazol-1-yl]propanamide
• Synonyms: N-[3-(1H-indazol-1-yl)propyl]-3-[5-(4-morpholinylmethyl)-1H-tetrazol-1-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.435305
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): -0.46273386
• LogD (pH = 7.4): -0.4117675
• Log P: -0.41107747
• Molar Refractivity: 132.1672 cm^3
• Polarizability: 42.26315 Å^3
• Polar Surface Area: 102.99 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 9
• H Donor: 1
• Log P: 0.56
• LOG S: -2.31
• Polar Surface Area: 102.99 Å^2
• Rotatable Bonds: 9