BRN 4340008

6-bromo-3-[5-[2-hydroxy-3-(2-methylanilino)propyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one

CAS: 135575-57-4

Molecular Formula	`C21H20BrN5O2S2`
Molecular Weight	518.5 g/mol
LogP	4.2
Topological Polar Surface Area	144.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	7
Exact Mass	517.0242
Heavy Atoms	31
Complexity	672.0

Chemical Identifiers

CAS Number	135575-57-4
SMILES	`CC1=CC=CC=C1NCC(CSC2=NN=C(S2)N3C(=NC4=C(C3=O)C=C(C=C4)Br)C)O`
InChIKey	`QCTPIIJBUILWLK-UHFFFAOYSA-N`

📖 Product Overview

BRN 4340008 (CAS: 135575-57-4) is a chemical compound with molecular formula C21H20BrN5O2S2 and molecular weight 518.5 g/mol. Its IUPAC systematic name is 6-bromo-3-[5-[2-hydroxy-3-(2-methylanilino)propyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one. LogP 4.2 Topological Polar Surface Area 144.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 8 Rotatable Bonds 7 Exact Mass 517.0242 Heavy Atoms 31 Complexity 672.0 InChI Key: QCTPIIJBUILWLK-UHFFFAOYSA-N. SMILES: CC1=CC=CC=C1NCC(CSC2=NN=C(S2)N3C(=NC4=C(C3=O)C=C(C=C4)Br)C)O.

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