BRN 4340414

6-bromo-3-[5-[3-(4-chloroanilino)-2-hydroxypropyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one

CAS: 135575-59-6

Molecular Formula	`C20H17BrClN5O2S2`
Molecular Weight	538.9 g/mol
LogP	4.4
Topological Polar Surface Area	144.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	7
Exact Mass	536.96954
Heavy Atoms	31
Complexity	669.0

Chemical Identifiers

CAS Number	135575-59-6
SMILES	`CC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=NN=C(S3)SCC(CNC4=CC=C(C=C4)Cl)O`
InChIKey	`OTUPAADDYDGMPJ-UHFFFAOYSA-N`

📖 Product Overview

BRN 4340414 (CAS: 135575-59-6) is a chemical compound with molecular formula C20H17BrClN5O2S2 and molecular weight 538.9 g/mol. Its IUPAC systematic name is 6-bromo-3-[5-[3-(4-chloroanilino)-2-hydroxypropyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one. LogP 4.4 Topological Polar Surface Area 144.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 8 Rotatable Bonds 7 Exact Mass 536.96954 Heavy Atoms 31 Complexity 669.0 InChI Key: OTUPAADDYDGMPJ-UHFFFAOYSA-N. SMILES: CC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=NN=C(S3)SCC(CNC4=CC=C(C=C4)Cl)O.

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