Basic information
- CAS
19749-34-9- Standard SMILES
Cc1ccc(-c2nc(-c3ccc(N=Cc4ccc(N(CCCl)CCCl)cc4C)cc3)cs2)cc1- InChIKey
ITGVMXCSYHJOIJ-UHFFFAOYSA-N- Molecular formula
- C28H27Cl2N3S
- Average molar mass
- 508.5 g/mol
- Monoisotopic mass
- 507.1302744
Names & identifiers
- Preferred name
- N,N-bis(2-chloroethyl)-3-methyl-4-[[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]iminomethyl]aniline
- IUPAC
- N,N-bis(2-chloroethyl)-3-methyl-4-[[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]iminomethyl]aniline
Names & synonyms
N,N-bis(2-chloroethyl)-3-methyl-4-[[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]iminomethyl]anilineDTXSID30329216N,N-Bis(2-chloroethyl)-3-methyl-4-[(E)-({4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl}imino)methyl]aniline
Database identifiers
- CAS
19749-34-9- PubChem CID
- 418486
- DTXSID
DTXSID30329216
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 613
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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