Basic information
- CAS
5966-92-7- Standard SMILES
CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(N(CCCl)CCCl)cc1- InChIKey
FHHVENYYALKCPA-UHFFFAOYSA-N- Molecular formula
- C18H23Cl2N3O3
- Average molar mass
- 400.3 g/mol
- Monoisotopic mass
- 399.111647
Names & identifiers
- Preferred name
- Ethyl 4-(4-(bis(2-chloroethyl)amino)phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- IUPAC
- ethyl 4-[4-[bis(2-chloroethyl)amino]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Names & synonyms
5966-92-7Ethyl 4-(4-(bis(2-chloroethyl)amino)phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylateEthyl 4-{4-[bis(2-chloroethyl)amino]phenyl}-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylateNSC166060DTXSID00304510NSC-166060
Database identifiers
- CAS
5966-92-7- PubChem CID
- 296189
- DTXSID
DTXSID00304510
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 528
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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