Basic information
- CAS
74796-93-3- Standard SMILES
Cc1ccccc1NCc1nnc(-n2c(C=Cc3ccccc3)nc3ccccc3c2=O)s1- InChIKey
MYYDUNXYUNZPKO-UHFFFAOYSA-N- Molecular formula
- C26H21N5OS
- Average molar mass
- 451.5 g/mol
- Monoisotopic mass
- 451.14668148
Names & identifiers
- Preferred name
- 3-{5-[(2-Methylanilino)methyl]-1,3,4-thiadiazol-2-yl}-2-(2-phenylethenyl)quinazolin-4(3H)-one
- IUPAC
- 3-[5-[(2-methylanilino)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-phenylethenyl)quinazolin-4-one
Names & synonyms
DTXSID809963113-{5-[(2-Methylanilino)methyl]-1,3,4-thiadiazol-2-yl}-2-(2-phenylethen-1-yl)quinazolin-4(3H)-one3-{5-[(2-Methylanilino)methyl]-1,3,4-thiadiazol-2-yl}-2-(2-phenylethenyl)quinazolin-4(3H)-one
Database identifiers
- CAS
74796-93-3- PubChem CID
- 63547
- DTXSID
DTXSID80996311
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 736
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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