Basic information
- Standard SMILES
CC(C)(C)C(=O)Nc1nc2c(c(NC(=O)C(C)(C)C)n1)CC(=NOc1cc(Cl)cc(Cl)c1)CC2- InChIKey
BASJREPFVVSNRK-UHFFFAOYSA-N- Molecular formula
- C24H29Cl2N5O3
- Average molar mass
- 506.4 g/mol
- Monoisotopic mass
- 505.1647452
Names & identifiers
- Preferred name
- 2,4-Di[(1,1-dimethylethyl)carbonylamino]-6-(3,5-dichlorophenoxyimino)-5,6,7,8-tetrahydroquinazoline
- IUPAC
- N-[6-(3,5-dichlorophenoxy)imino-2-(2,2-dimethylpropanoylamino)-7,8-dihydro-5H-quinazolin-4-yl]-2,2-dimethylpropanamide
Names & synonyms
SCHEMBL8990359BASJREPFVVSNRK-UHFFFAOYSA-N2,4-di[(1,1-dimethylethyl)carbonylamino]-6-(3,5-dichlorophenoxyimino)-5,6,7,8-tetrahydroquinazoline
Database identifiers
- PubChem CID
- 53672281
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 770
Related reactions
5 records
Compound notes
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