6-oxo-6H-benzo[c]chromen-3-yl 4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexanecarboxylate
Basic information
- CAS
1212105-26-4- Standard SMILES
O=C(NCC1CCC(C(=O)Oc2ccc3c(c2)oc(=O)c2ccccc23)CC1)OCc1ccccc1- InChIKey
MFFYGKRAHKYJFV-UHFFFAOYSA-N- Molecular formula
- C29H27NO6
- Average molar mass
- 485.5 g/mol
- Monoisotopic mass
- 485.18383758
Names & identifiers
- Preferred name
- 6-oxo-6H-benzo[c]chromen-3-yl 4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexanecarboxylate
- IUPAC
- (6-oxobenzo[c]chromen-3-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate
Names & synonyms
1212105-26-4DTXSID301112669STL516250AKOS030502460AKOS0374922626-oxo-6H-benzo[c]chromen-3-yl 4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexanecarboxylate(1r,4r)-6-oxo-6H-benzo[c]chromen-3-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate6-Oxo-6H-dibenzo[b,d]pyran-3-yl (1r,4r)-4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexane-1-carboxylate6-Oxo-6H-dibenzo[b,d]pyran-3-yl trans-4-[[[(phenylmethoxy)carbonyl]amino]methyl]cyclohexanecarboxylate
Database identifiers
- CAS
1212105-26-4- PubChem CID
- 3619783
- DTXSID
DTXSID301112669
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 772
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Compound notes
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