Compound C30H40N4O9S

2-butoxy-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-1,3-benzothiazol-6-amine;oxalic acid

CAS: 77563-10-1

Molecular Formula	`C30H40N4O9S`
Molecular Weight	632.7 g/mol
Topological Polar Surface Area	218.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	14
Rotatable Bonds	13
Exact Mass	632.2516
Heavy Atoms	44
Complexity	596.0

Chemical Identifiers

CAS Number	77563-10-1
SMILES	`CCCCOC1=NC2=C(S1)C=C(C=C2)NC(C)CN3CCN(CC3)CCC4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O`
InChIKey	`XKLOADGVLRULGI-UHFFFAOYSA-N`

📖 Product Overview

Compound C30H40N4O9S (CAS: 77563-10-1) is a chemical compound with molecular formula C30H40N4O9S and molecular weight 632.7 g/mol. Its IUPAC systematic name is 2-butoxy-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-1,3-benzothiazol-6-amine;oxalic acid. Topological Polar Surface Area 218.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 14 Rotatable Bonds 13 Exact Mass 632.2516 Heavy Atoms 44 Complexity 596.0 InChI Key: XKLOADGVLRULGI-UHFFFAOYSA-N. SMILES: CCCCOC1=NC2=C(S1)C=C(C=C2)NC(C)CN3CCN(CC3)CCC4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.

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