Basic information
- CAS
84188-63-6- Standard SMILES
Cc1cc(N(CCCl)CCCl)ccc1C=C1C(=O)NC(=O)NC1=O- InChIKey
MNBDVXQOFMRFFV-UHFFFAOYSA-N- Molecular formula
- C16H17Cl2N3O3
- Average molar mass
- 370.2 g/mol
- Monoisotopic mass
- 369.0646968
Names & identifiers
- Preferred name
- 5-({4-[Bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
- IUPAC
- 5-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylidene]-1,3-diazinane-2,4,6-trione
Names & synonyms
84188-63-6NSC57070DTXSID10288650NSC-570705-({4-[Bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione5-({4-[Bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)-1,3-diazinane-2,4,6-trione
Database identifiers
- CAS
84188-63-6- PubChem CID
- 245293
- DTXSID
DTXSID10288650
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 511
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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