1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl 3-chloroadamantane-1-carboxylate
Basic information
- CAS
757220-10-3- Standard SMILES
Cc1[nH]c2ccccc2c1C(=O)C(C)OC(=O)C12CC3CC(CC(Cl)(C3)C1)C2- InChIKey
DHVCEDHMROZWJV-UHFFFAOYSA-N- Molecular formula
- C23H26ClNO3
- Average molar mass
- 399.9 g/mol
- Monoisotopic mass
- 399.1601214
Names & identifiers
- Preferred name
- 1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl 3-chloroadamantane-1-carboxylate
- IUPAC
- [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-chloroadamantane-1-carboxylate
Names & synonyms
DTXSID401117343AKOS0336671141-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxoethyl 3-chlorotricyclo[3.3.1.13,7]decane-1-carboxylate757220-10-3AB00981565-01Z192434641-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl 3-chloroadamantane-1-carboxylate
Database identifiers
- CAS
757220-10-3- PubChem CID
- 3580733
- DTXSID
DTXSID401117343
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 59.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 665
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Compound notes
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