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Basic information
- Standard SMILES
O=C(NCCCl)NC1CCC(CC2CCC(NC(=O)NCCCl)CC2)CC1- InChIKey
FDOIYOCXUNTOCO-UHFFFAOYSA-N- Molecular formula
- C19H34Cl2N4O2
- Average molar mass
- 421.4 g/mol
- Monoisotopic mass
- 420.2058817
Names & identifiers
- Preferred name
- 1-(2-Chloroethyl)-3-[4-[[4-(2-chloroethylcarbamoylamino)cyclohexyl]methyl]cyclohexyl]urea
- IUPAC
- 1-(2-chloroethyl)-3-[4-[[4-(2-chloroethylcarbamoylamino)cyclohexyl]methyl]cyclohexyl]urea
Names & synonyms
NSC110802NSC-110802
Database identifiers
- PubChem CID
- 269604
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
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Compound notes
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