Basic information
- CAS
135575-62-1- Standard SMILES
Cc1ccc(NCC(O)CSc2nnc(-n3c(C)nc4c(Br)cc(Br)cc4c3=O)s2)cc1- InChIKey
QSPDQEAGERFXTR-UHFFFAOYSA-N- Molecular formula
- C21H19Br2N5O2S2
- Average molar mass
- 597.4 g/mol
- Monoisotopic mass
- 594.93469
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 6,8-dibromo-3-(5-((2-hydroxy-3-((4-methylphenyl)amino)propyl)thio)-1,3,4-thiadiazol-2-yl)-2-methyl-
- IUPAC
- 6,8-dibromo-3-[5-[2-hydroxy-3-(4-methylanilino)propyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one
Names & synonyms
BRN 4340461135575-62-14(3H)-Quinazolinone, 6,8-dibromo-3-(5-((2-hydroxy-3-((4-methylphenyl)amino)propyl)thio)-1,3,4-thiadiazol-2-yl)-2-methyl-RefChem:284225DTXSID509290706,8-Dibromo-3-(5-{[2-hydroxy-3-(4-methylanilino)propyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-methylquinazolin-4(3H)-one
Database identifiers
- CAS
135575-62-1- PubChem CID
- 64004
- DTXSID
DTXSID50929070- Nikkaji
- J385.701H
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 697
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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