Basic information
- Standard SMILES
C=CCN1CCN(Cc2cc(-c3ccccc3Cl)c3c(c2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC1C(=O)OC(C)(C)C- InChIKey
NTNCGLDMGGPBOG-UHFFFAOYSA-N- Molecular formula
- C33H35Cl3N4O3
- Average molar mass
- 642 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 1-allyl-4-{[5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-2-oxo-1,2,3,4-tetrahydroquinazolin-7-yl]methyl}piperazine-2-carboxylate
- IUPAC
- tert-butyl 4-[[5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-2-oxo-3,4-dihydroquinazolin-7-yl]methyl]-1-prop-2-enylpiperazine-2-carboxylate
Names & synonyms
SCHEMBL6645383NTNCGLDMGGPBOG-UHFFFAOYSA-Ntert-butyl 1-allyl-4-{[5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-2-oxo-1,2,3,4-tetrahydroquinazolin-7-yl]methyl}piperazine-2-carboxylate
Database identifiers
- PubChem CID
- 10282953
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 985
Related reactions
1 records
Compound notes
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