Compound C40H40N12O8S2

5-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-[2-[4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid

CAS: 24231-46-7

Molecular Formula	`C40H40N12O8S2`
Molecular Weight	881.0 g/mol
LogP	5.5
Topological Polar Surface Area	276.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	20
Rotatable Bonds	14
Exact Mass	880.25336
Heavy Atoms	62
Complexity	1520.0

Chemical Identifiers

CAS Number	24231-46-7
SMILES	`C1COCCN1C2=NC(=NC(=N2)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)N7CCOCC7)S(=O)(=O)O)S(=O)(=O)O)NC8=CC=CC=C8`
InChIKey	`YGUMVDWOQQJBGA-UHFFFAOYSA-N`

📖 Product Overview

Compound C40H40N12O8S2 (CAS: 24231-46-7) is a chemical compound with molecular formula C40H40N12O8S2 and molecular weight 881.0 g/mol. Its IUPAC systematic name is 5-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-[2-[4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid. LogP 5.5 Topological Polar Surface Area 276.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 20 Rotatable Bonds 14 Exact Mass 880.25336 Heavy Atoms 62 Complexity 1520.0 InChI Key: YGUMVDWOQQJBGA-UHFFFAOYSA-N. SMILES: C1COCCN1C2=NC(=NC(=N2)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)N7CCOCC7)S(=O)(=O)O)S(=O)(=O)O)NC8=CC=CC=C8.

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