Basic information
- CAS
295344-33-1- Standard SMILES
CC1=C(C(=O)OCCCCCl)C(c2ccc(Cl)c(Cl)c2)NC(=O)N1- InChIKey
WSIJGRXWCLQXMV-UHFFFAOYSA-N- Molecular formula
- C16H17Cl3N2O3
- Average molar mass
- 391.7 g/mol
Names & identifiers
- Preferred name
- 4-Chlorobutyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
- IUPAC
- 4-chlorobutyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
- English name
- 4-chlorobutyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
- Molecular formula
- C16H17Cl3N2O3
- Molecular weight
- 391.67678
Names & synonyms
4-chlorobutyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate4-Chlorobutyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylateWSIJGRXWCLQXMV-UHFFFAOYSA-NSTK370785AKOS000650464AKOS0220655044-chlorobutyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylateST50911713AG-690/339180294-Chlorobutyl 4-(3,4-dichlorophenyl)-3,4-dihydro-6-methyl-2(1H)-oxopyrimidine-5-carboxylate4-Chlorobutyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate #4-chlorobutyl 6-(3,4-dichlorophenyl)-4-methyl-2-oxo-1,3,6-trihydropyrimidine-5 -carboxylate
Database identifiers
- CAS
295344-33-1
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 513
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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