Basic information
- CAS
135575-59-6- Standard SMILES
Cc1nc2ccc(Br)cc2c(=O)n1-c1nnc(SCC(O)CNc2ccc(Cl)cc2)s1- InChIKey
OTUPAADDYDGMPJ-UHFFFAOYSA-N- Molecular formula
- C20H17BrClN5O2S2
- Average molar mass
- 538.9 g/mol
- Monoisotopic mass
- 536.96956
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 6-bromo-3-(5-((3-((4-chlorophenyl)amino)-2-hydroxypropyl)thio)1,3,4-thiadiazol-2-yl)-2-methyl-
- IUPAC
- 6-bromo-3-[5-[3-(4-chloroanilino)-2-hydroxypropyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one
Names & synonyms
BRN 4340414135575-59-64(3H)-Quinazolinone, 6-bromo-3-(5-((3-((4-chlorophenyl)amino)-2-hydroxypropyl)thio)1,3,4-thiadiazol-2-yl)-2-methyl-RefChem:284275DTXSID209290676-Bromo-3-(5-{[3-(4-chloroanilino)-2-hydroxypropyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-methylquinazolin-4(3H)-one
Database identifiers
- CAS
135575-59-6- PubChem CID
- 64002
- DTXSID
DTXSID20929067- Nikkaji
- J385.706I
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 669
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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