1,1-Dimethylethyl N-[5-[3-(4-cyano-2,3-dihydro-1H-indol-1-yl)-2-hydroxy-2-methyl-3-oxopropoxy]-2-pyrimidinyl]-N-methylcarbamate
Basic information
- CAS
1578264-23-9- Standard SMILES
CN(C(=O)OC(C)(C)C)c1ncc(OCC(C)(O)C(=O)N2CCc3c(C#N)cccc32)cn1- InChIKey
XYAKLTKYTORKLR-UHFFFAOYSA-N- Molecular formula
- C23H27N5O5
- Average molar mass
- 453.5 g/mol
- Monoisotopic mass
- 453.20121898
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl N-[5-[3-(4-cyano-2,3-dihydro-1H-indol-1-yl)-2-hydroxy-2-methyl-3-oxopropoxy]-2-pyrimidinyl]-N-methylcarbamate
- IUPAC
- tert-butyl N-[5-[3-(4-cyano-2,3-dihydroindol-1-yl)-2-hydroxy-2-methyl-3-oxopropoxy]pyrimidin-2-yl]-N-methylcarbamate
Names & synonyms
DTXSID0011031861,1-Dimethylethyl N-[5-[3-(4-cyano-2,3-dihydro-1H-indol-1-yl)-2-hydroxy-2-methyl-3-oxopropoxy]-2-pyrimidinyl]-N-methylcarbamate1578264-23-9
Database identifiers
- CAS
1578264-23-9- PubChem CID
- 165366830
- DTXSID
DTXSID001103186
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 769
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Compound notes
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