Ro-24-4736

5-[3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]prop-2-ynyl]phenanthridin-6-one

CAS: 125030-71-9

Molecular Formula	`C31H20ClN5OS`
Molecular Weight	546.0 g/mol
LogP	5.9
Topological Polar Surface Area	91.6 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	545.1077
Heavy Atoms	39
Complexity	1040.0

Chemical Identifiers

CAS Number	125030-71-9
SMILES	`CC1=NN=C2N1C3=C(C=C(S3)C#CCN4C5=CC=CC=C5C6=CC=CC=C6C4=O)C(=NC2)C7=CC=CC=C7Cl`
InChIKey	`MPMZSZMDCRPSRF-UHFFFAOYSA-N`

📖 Product Overview

Ro-24-4736 (CAS: 125030-71-9) is a chemical compound with molecular formula C31H20ClN5OS and molecular weight 546.0 g/mol. Its IUPAC systematic name is 5-[3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]prop-2-ynyl]phenanthridin-6-one. LogP 5.9 Topological Polar Surface Area 91.6 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 3 Exact Mass 545.1077 Heavy Atoms 39 Complexity 1040.0 InChI Key: MPMZSZMDCRPSRF-UHFFFAOYSA-N. SMILES: CC1=NN=C2N1C3=C(C=C(S3)C#CCN4C5=CC=CC=C5C6=CC=CC=C6C4=O)C(=NC2)C7=CC=CC=C7Cl.

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