AC1MN5NB structure

AC1MN5NB

2-benzylsulfanyl-4-pyrrolidin-1-ylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]

Also Known As: 2-(benzylsulfanyl)-4-(pyrrolidin-1-yl)-6H-spiro[benzo[h]quinazoline-5,1'-cyclopentane]|2-(benzylthio)-4-(pyrrolidin-1-yl)-6H-spiro[benzo[h]quinazoline-5,1'-cyclopentane]|2-benzylsulfanyl-4-pyrrolidin-1-ylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]

CAS: 844652-49-9
Molecular Formula C27H29N3S
Molecular Weight 427.20822 g/mol
LogP 6.404
Topological Polar Surface Area 29.02 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 4
Exact Mass 427.20822
Monoisotopic Mass 427.20822
Heavy Atoms 31
Complexity 1082.8906

Chemical Identifiers

CAS Number 844652-49-9
SMILES C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=NC(=N4)SCC5=CC=CC=C5)N6CCCC6

Product Overview

AC1MN5NB (CAS 844652-49-9), with molecular formula C27H29N3S and molecular weight 427.20822 g/mol. IUPAC: 2-benzylsulfanyl-4-pyrrolidin-1-ylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane].

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