Basic information
- Standard SMILES
COc1cc(CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc1OCC#Cc1ccc(Cl)cc1- InChIKey
WGBCMAIWCJNRCC-VWLOTQADSA-N- Molecular formula
- C28H35ClN2O5
- Average molar mass
- 515 g/mol
Names & identifiers
- Preferred name
- (S)-[1-(2-{4-[3-(4-chloro-phenyl)-prop-2-ynyloxy]-3-methoxy-phenyl}ethylcarbamoyl)-2-methyl-propyl]-carbamic acid-tert.-butyl ester
- IUPAC
- tert-butyl N-[(2S)-1-[2-[4-[3-(4-chlorophenyl)prop-2-ynoxy]-3-methoxyphenyl]ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate
Names & synonyms
SCHEMBL6554729WGBCMAIWCJNRCC-VWLOTQADSA-N(S)-[1-(2-{4-[3-(4-chloro-phenyl)-prop-2-ynyloxy]-3-methoxy-phenyl}-ethylcarbamoyl)-2-methyl-propyl]-carbamic acid -tert.-butyl ester(S)-[1-(2-{4-[3-(4-chloro-phenyl)-prop-2-ynyloxy]-3-methoxy-phenyl}ethylcarbamoyl)-2-methyl-propyl]-carbamic acid-tert.-butyl ester
Database identifiers
- PubChem CID
- 22982866
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 85.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 761
Related reactions
1 records
Compound notes
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