3-(23-methyl-14-oxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)propanenitrile

CAS: 136194-77-9

Molecular Formula	`C24H18N4O`
Molecular Weight	378.4 g/mol
LogP	3.2
Topological Polar Surface Area	62.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	2
Rotatable Bonds	2
Exact Mass	378.14807
Heavy Atoms	29
Complexity	730.0

Chemical Identifiers

CAS Number	136194-77-9
SMILES	`CN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)CCC#N)CNC4=O`
InChIKey	`VWVYILCFSYNJHF-UHFFFAOYSA-N`

📖 Product Overview

3-(23-methyl-14-oxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)propanenitrile (CAS: 136194-77-9) is a chemical compound with molecular formula C24H18N4O and molecular weight 378.4 g/mol. Its IUPAC systematic name is 3-(23-methyl-14-oxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)propanenitrile. LogP 3.2 Topological Polar Surface Area 62.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 2 Rotatable Bonds 2 Exact Mass 378.14807 Heavy Atoms 29 Complexity 730.0 InChI Key: VWVYILCFSYNJHF-UHFFFAOYSA-N. SMILES: CN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)CCC#N)CNC4=O.

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