chempirical

Jnk-in-8

C29H29N7O2CAS 1410880-22-6507.60 g/mol

Open in Covalent MOL file
NHONHONHNNNN
AlkeneAmideSecondary amineTertiary amine

Properties

Molecular formula
C29H29N7O2
Molar mass
507.60 g/mol
Exact mass
507.2383 Da
logP
4.90Crippen estimate
Polar surface area
112.1 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
9
Double bonds
EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
1410880-22-6
SMILES
CC1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)NC(=O)/C=C/CN(C)C)NC3=NC=CC(=N3)C4=CN=CC=C4
InChIKey
GJFCSAPFHAXMSF-UXBLZVDNSA-N
InChI
InChI=1S/C29H29N7O2/c1-20-17-24(11-12-25(20)34-29-31-15-13-26(35-29)22-8-5-14-30-19-22)33-28(38)21-7-4-9-23(18-21)32-27(37)10-6-16-36(2)3/h4-15,17-19H,16H2,1-3H3,(H,32,37)(H,33,38)(H,31,34,35)/b10-6+

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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

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