Basic information
- CAS
135575-67-6- Standard SMILES
Cc1nc2ccc(I)cc2c(=O)n1-c1nnc(SCC(O)CNc2ccc(Cl)cc2)s1- InChIKey
UBXSHHJBRMCKML-UHFFFAOYSA-N- Molecular formula
- C20H17ClIN5O2S2
- Average molar mass
- 585.9 g/mol
- Monoisotopic mass
- 584.95569
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(5-((3-((4-chlorophenyl)amino)-2-hydroxypropyl)thio)-1,3,4-thiadiazol-2-yl)-6-iodo-2-methyl-
- IUPAC
- 3-[5-[3-(4-chloroanilino)-2-hydroxypropyl]sulfanyl-1,3,4-thiadiazol-2-yl]-6-iodo-2-methylquinazolin-4-one
Names & synonyms
BRN 4340415135575-67-64(3H)-Quinazolinone, 3-(5-((3-((4-chlorophenyl)amino)-2-hydroxypropyl)thio)-1,3,4-thiadiazol-2-yl)-6-iodo-2-methyl-RefChem:284116DTXSID509290753-(5-{[3-(4-Chloroanilino)-2-hydroxypropyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-6-iodo-2-methylquinazolin-4(3H)-one
Database identifiers
- CAS
135575-67-6- PubChem CID
- 64006
- DTXSID
DTXSID50929075- Nikkaji
- J385.711E
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
Loading…