DTXSID401384556

ethyl 4-[[2,4-diamino-6-[4-(2-chloroethyl)piperazin-1-yl]pyrimidin-5-yl]diazenyl]benzoate

CAS: 750520-40-2

Molecular Formula	`C19H25ClN8O2`
Molecular Weight	432.9 g/mol
LogP	2.4
Topological Polar Surface Area	135.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	10
Rotatable Bonds	8
Exact Mass	432.1789
Heavy Atoms	30
Complexity	567.0

Chemical Identifiers

CAS Number	750520-40-2
SMILES	`CCOC(=O)C1=CC=C(C=C1)N=NC2=C(N=C(N=C2N3CCN(CC3)CCCl)N)N`
InChIKey	`UDXABHZLBAJDSO-UHFFFAOYSA-N`

📖 Product Overview

DTXSID401384556 (CAS: 750520-40-2) is a chemical compound with molecular formula C19H25ClN8O2 and molecular weight 432.9 g/mol. Its IUPAC systematic name is ethyl 4-[[2,4-diamino-6-[4-(2-chloroethyl)piperazin-1-yl]pyrimidin-5-yl]diazenyl]benzoate. LogP 2.4 Topological Polar Surface Area 135.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 10 Rotatable Bonds 8 Exact Mass 432.1789 Heavy Atoms 30 Complexity 567.0 InChI Key: UDXABHZLBAJDSO-UHFFFAOYSA-N. SMILES: CCOC(=O)C1=CC=C(C=C1)N=NC2=C(N=C(N=C2N3CCN(CC3)CCCl)N)N.

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