Basic information
- Standard SMILES
Cc1nc2ccc(Br)cc2c(=O)n1-c1nnc(SCC(O)CNc2ccccc2)s1- InChIKey
QFYHNGHPLYDHCR-UHFFFAOYSA-N- Molecular formula
- C20H18BrN5O2S2
- Average molar mass
- 504.4 g/mol
- Monoisotopic mass
- 503.00852892
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 6-bromo-3-(5-((2-hydroxy-3-(phenylamino)propyl)thio)-1,3,4-thiadiazol-2-yl)-2-methyl-
- IUPAC
- 3-[5-(3-anilino-2-hydroxypropyl)sulfanyl-1,3,4-thiadiazol-2-yl]-6-bromo-2-methylquinazolin-4-one
Names & synonyms
BRN 4338937135575-56-34(3H)-Quinazolinone, 6-bromo-3-(5-((2-hydroxy-3-(phenylamino)propyl)thio)-1,3,4-thiadiazol-2-yl)-2-methyl-RefChem:284273DTXSID409290643-{5-[(3-Anilino-2-hydroxypropyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-6-bromo-2-methylquinazolin-4(3H)-one
Database identifiers
- CAS
135575-56-3- PubChem CID
- 64001
- DTXSID
DTXSID40929064- Nikkaji
- J385.703D
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 636
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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