Basic information
- CAS
135575-65-4- Standard SMILES
Cc1ccccc1NCC(O)CSc1nnc(-n2c(C)nc3ccc(I)cc3c2=O)s1- InChIKey
VVTYXPMQSWZHSI-UHFFFAOYSA-N- Molecular formula
- C21H20IN5O2S2
- Average molar mass
- 565.5 g/mol
- Monoisotopic mass
- 565.01031
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(5-((2-hydroxy-3-((2-methylphenyl)amino)propyl)thio)-1,3,4-thiadiazol-2-yl)-6-iodo-2-methyl-
- IUPAC
- 3-[5-[2-hydroxy-3-(2-methylanilino)propyl]sulfanyl-1,3,4-thiadiazol-2-yl]-6-iodo-2-methylquinazolin-4-one
Names & synonyms
BRN 4340009135575-65-44(3H)-Quinazolinone, 3-(5-((2-hydroxy-3-((2-methylphenyl)amino)propyl)thio)-1,3,4-thiadiazol-2-yl)-6-iodo-2-methyl-RefChem:284111DTXSID309290733-(5-{[2-Hydroxy-3-(2-methylanilino)propyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-6-iodo-2-methylquinazolin-4(3H)-one
Database identifiers
- CAS
135575-65-4- PubChem CID
- 64005
- DTXSID
DTXSID30929073- Nikkaji
- J385.709C
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 672
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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