Jmv3002

CAS

925239-03-8

Catalog Number

ACM925239038

Category

Other Products

Molecular Formula

C₃₅H₃₄N₆O₃

MSDS COA Spec Sheet

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What is the molecular formula of JMV3002?

The molecular formula of JMV3002 is C35H34N6O3.

When was JMV3002 created and last modified?

JMV3002 was created on October 30, 2011, and last modified on December 30, 2023.

What is the IUPAC Name of JMV3002?

The IUPAC Name of JMV3002 is N-[1-[4-[(2,4-dimethoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide.

What is the InChI of JMV3002?

The InChI of JMV3002 is InChI=1S/C35H34N6O3/c1-43-27-17-16-25(32(21-27)44-2)23-41-33(18-15-24-10-4-3-5-11-24)39-40-34(41)31(38-35(42)30-14-8-9-19-36-30)20-26-22-37-29-13-7-6-12-28(26)29/h3-14,16-17,19,21-22,31,37H,15,18,20,23H2,1-2H3,(H,38,42).

What is the InChIKey of JMV3002?

The InChIKey of JMV3002 is UMGBPWZCCHVQAY-UHFFFAOYSA-N.

What is the Canonical SMILES of JMV3002?

The Canonical SMILES of JMV3002 is COC1=CC(=C(C=C1)CN2C(=NN=C2C(CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CC=N5)CCC6=CC=CC=C6)OC.

What is the molecular weight of JMV3002?

The molecular weight of JMV3002 is 586.7 g/mol.

How many rotatable bonds does JMV3002 have?

JMV3002 has 12 rotatable bonds.

What is the XLogP3-AA value of JMV3002?

The XLogP3-AA value of JMV3002 is 5.4.

Is JMV3002 a canonicalized compound?

Yes, JMV3002 is a canonicalized compound.