2,2'-{[2-{4-[Bis(2-chloroethyl)amino]phenyl}dihydropyrimidine-1,3(2H,4H)-diyl]bis(methylene)}bis(6-methoxyphenol)
Basic information
- CAS
5019-64-7- Standard SMILES
COc1cccc(CN2CCCN(Cc3cccc(OC)c3O)C2c2ccc(N(CCCl)CCCl)cc2)c1O- InChIKey
GEONVTKETCOVIU-UHFFFAOYSA-N- Molecular formula
- C30H37Cl2N3O4
- Average molar mass
- 574.5 g/mol
- Monoisotopic mass
- 573.2161121
Names & identifiers
- Preferred name
- 2,2'-{[2-{4-[Bis(2-chloroethyl)amino]phenyl}dihydropyrimidine-1,3(2H,4H)-diyl]bis(methylene)}bis(6-methoxyphenol)
- IUPAC
- 2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol
Names & synonyms
5019-64-7NSC86721DTXSID30329059NSC-867212,2'-{[2-{4-[Bis(2-chloroethyl)amino]phenyl}dihydropyrimidine-1,3(2H,4H)-diyl]bis(methylene)}bis(6-methoxyphenol)2,2'-[(2-{4-[Bis(2-chloroethyl)amino]phenyl}-1,3-diazinane-1,3-diyl)bis(methylene)]bis(6-methoxyphenol)
Database identifiers
- CAS
5019-64-7- PubChem CID
- 417113
- DTXSID
DTXSID30329059
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 68.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 657
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Compound notes
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