Einecs 281-313-1
Basic information
- CAS
83918-77-8- Standard SMILES
C=C(C)c1cccc2c1[nH]c(=O)n2CCCc1cccc(CNCC(O)COc2ccc(CC(=O)OC)cc2)c1- InChIKey
DRLOSBPJUHEKRL-UHFFFAOYSA-N- Molecular formula
- C32H37N3O5
- Average molar mass
- 543.7 g/mol
- Monoisotopic mass
- 543.27332129
Names & identifiers
- Preferred name
- Einecs 281-313-1
- IUPAC
- methyl 2-[4-[2-hydroxy-3-[[3-[3-(2-oxo-4-prop-1-en-2-yl-3H-benzimidazol-1-yl)propyl]phenyl]methylamino]propoxy]phenyl]acetate
Names & synonyms
83918-77-8EINECS 281-313-1DRLOSBPJUHEKRL-UHFFFAOYSA-NDTXSID001004073Methyl (4-(3-((3-(2,3-dihydro-3-(1-methylvinyl-2-oxo-1H-benzimidazol-1-yl)propyl)benzyl)amino)-2-hydroxypropoxy)phenyl)acetateMethyl [4-(2-hydroxy-3-{[(3-{3-[2-hydroxy-4-(prop-1-en-2-yl)-1H-1,3-benzimidazol-1-yl]propyl}phenyl)methyl]amino}propoxy)phenyl]acetateMethyl [4-(2-hydroxy-3-{[(3-{3-[2-hydroxy-4-(prop-1-en-2-yl)-1H-benzimidazol-1-yl]propyl}phenyl)methyl]amino}propoxy)phenyl]acetate
Database identifiers
- CAS
83918-77-8- PubChem CID
- 44153990
- DTXSID
DTXSID001004073- EC Number
- 281-313-1
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 829
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Related reactions
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Compound notes
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