BRN 4340461

6,8-dibromo-3-[5-[2-hydroxy-3-(4-methylanilino)propyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one

CAS: 135575-62-1

Molecular Formula	`C21H19Br2N5O2S2`
Molecular Weight	597.4 g/mol
LogP	4.9
Topological Polar Surface Area	144.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	7
Exact Mass	596.9326
Heavy Atoms	32
Complexity	697.0

Chemical Identifiers

CAS Number	135575-62-1
SMILES	`CC1=CC=C(C=C1)NCC(CSC2=NN=C(S2)N3C(=NC4=C(C3=O)C=C(C=C4Br)Br)C)O`
InChIKey	`QSPDQEAGERFXTR-UHFFFAOYSA-N`

📖 Product Overview

BRN 4340461 (CAS: 135575-62-1) is a chemical compound with molecular formula C21H19Br2N5O2S2 and molecular weight 597.4 g/mol. Its IUPAC systematic name is 6,8-dibromo-3-[5-[2-hydroxy-3-(4-methylanilino)propyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one. LogP 4.9 Topological Polar Surface Area 144.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 8 Rotatable Bonds 7 Exact Mass 596.9326 Heavy Atoms 32 Complexity 697.0 InChI Key: QSPDQEAGERFXTR-UHFFFAOYSA-N. SMILES: CC1=CC=C(C=C1)NCC(CSC2=NN=C(S2)N3C(=NC4=C(C3=O)C=C(C=C4Br)Br)C)O.

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