4(3H)-Quinazolinone, 3-(5-((2-hydroxy-3-((4-methylphenyl)amino)propyl)thio)-1,3,4-thiadiazol-2-yl)-2-methyl-
Basic information
- CAS
135575-55-2- Standard SMILES
Cc1ccc(NCC(O)CSc2nnc(-n3c(C)nc4ccccc4c3=O)s2)cc1- InChIKey
OPNKCSPYWLUCCM-UHFFFAOYSA-N- Molecular formula
- C21H21N5O2S2
- Average molar mass
- 439.6 g/mol
- Monoisotopic mass
- 439.11366728
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(5-((2-hydroxy-3-((4-methylphenyl)amino)propyl)thio)-1,3,4-thiadiazol-2-yl)-2-methyl-
- IUPAC
- 3-[5-[2-hydroxy-3-(4-methylanilino)propyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one
Names & synonyms
BRN 4338688135575-55-24(3H)-Quinazolinone, 3-(5-((2-hydroxy-3-((4-methylphenyl)amino)propyl)thio)-1,3,4-thiadiazol-2-yl)-2-methyl-RefChem:284112DTXSID809290633-(5-{[2-Hydroxy-3-(4-methylanilino)propyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-methylquinazolin-4(3H)-one
Database identifiers
- CAS
135575-55-2- PubChem CID
- 63685
- DTXSID
DTXSID80929063- Nikkaji
- J385.698D
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 629
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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