2-[1,3-Bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4,6-dichlorophenol
Basic information
- CAS
17958-62-2- Standard SMILES
Oc1c(Cl)cc(Cl)cc1C1N(Cc2ccc(N(CCCl)CCCl)cc2)CCCN1Cc1ccc(N(CCCl)CCCl)cc1- InChIKey
NIOAHKAGMYPEHE-UHFFFAOYSA-N- Molecular formula
- C32H38Cl6N4O
- Average molar mass
- 707.4 g/mol
- Monoisotopic mass
- 704.117678
Names & identifiers
- Preferred name
- 2-[1,3-Bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4,6-dichlorophenol
- IUPAC
- 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4,6-dichlorophenol
Names & synonyms
2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4,6-dichlorophenol17958-62-22-[1,3-Bis({4-[bis(2-chloroethyl)amino]phenyl}methyl)-1,3-diazinan-2-yl]-4,6-dichlorophenolNSC99639SCHEMBL2681267DTXSID10329198NSC-996392-[1,3-diazinan-2-yl]-4,6-dichlorophenol
Database identifiers
- CAS
17958-62-2- PubChem CID
- 418295
- DTXSID
DTXSID10329198
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 33.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 15
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 714
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…