EINECS 221-125-9

12-(cyclohexylamino)-15-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one

CAS: 3008-87-5

Molecular Formula	`C23H22N2O`
Molecular Weight	342.4 g/mol
LogP	5.5
Topological Polar Surface Area	42.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	2
Exact Mass	342.17322
Heavy Atoms	26
Complexity	528.0

Chemical Identifiers

CAS Number	3008-87-5
SMILES	`CC1=NC2=C(C=CC3=C2C(=C1)C4=CC=CC=C4C3=O)NC5CCCCC5`
InChIKey	`SUVPVSBKLBGBFW-UHFFFAOYSA-N`

📖 Product Overview

EINECS 221-125-9 (CAS: 3008-87-5) is a chemical compound with molecular formula C23H22N2O and molecular weight 342.4 g/mol. Its IUPAC systematic name is 12-(cyclohexylamino)-15-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one. LogP 5.5 Topological Polar Surface Area 42.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 2 Exact Mass 342.17322 Heavy Atoms 26 Complexity 528.0 InChI Key: SUVPVSBKLBGBFW-UHFFFAOYSA-N. SMILES: CC1=NC2=C(C=CC3=C2C(=C1)C4=CC=CC=C4C3=O)NC5CCCCC5.

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