Carbamic acid, (1,3,5-benzenetriyltris(methylene))tris((4-phenylbutyl)-, triethyl ester
Basic information
- CAS
134984-22-8- Standard SMILES
CCOC(=O)N(CCCCc1ccccc1)Cc1cc(CN(CCCCc2ccccc2)C(=O)OCC)cc(CN(CCCCc2ccccc2)C(=O)OCC)c1- InChIKey
XTNIRTXFWMKMMM-UHFFFAOYSA-N- Molecular formula
- C48H63N3O6
- Average molar mass
- 778 g/mol
- Monoisotopic mass
- 777.47168674
Names & identifiers
- Preferred name
- Carbamic acid, (1,3,5-benzenetriyltris(methylene))tris((4-phenylbutyl)-, triethyl ester
- IUPAC
- ethyl N-[[3,5-bis[[ethoxycarbonyl(4-phenylbutyl)amino]methyl]phenyl]methyl]-N-(4-phenylbutyl)carbamate
Names & synonyms
RE 1492C134984-22-8RE-1492CDTXSID20159180Carbamic acid, (1,3,5-benzenetriyltris(methylene))tris((4-phenylbutyl)-, triethyl esterTriethyl [benzene-1,3,5-triyltris(methylene)]tris[(4-phenylbutyl)carbamate]
Database identifiers
- CAS
134984-22-8- PubChem CID
- 178226
- DTXSID
DTXSID20159180- Nikkaji
- J409.193K
Properties
Computed structural properties
- XLogP
- 10.1
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 27
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 943
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Compound notes
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