Basic information
- Standard SMILES
CCOC(OCC)[C@H](C)N(Cc1cccc2cccnc12)C(=O)[C@H](C)NC(=O)CONC(=O)NCc1ccc(Cl)cc1- InChIKey
SPOPDMUDXRSOBG-SFTDATJTSA-N- Molecular formula
- C30H38ClN5O6
- Average molar mass
- 600.1 g/mol
- Monoisotopic mass
- 599.2510616
Names & identifiers
- Preferred name
- 1-(4-chlorobenzyl)-3-(2-((S)-1-(((S)-1,1-diethoxypropan-2-yl)(quinolin-8-ylmethyl)amino)-1-oxopropan-2-ylamino)-2-oxoethoxy)urea
- IUPAC
- (2S)-2-[[2-[(4-chlorophenyl)methylcarbamoylamino]oxyacetyl]amino]-N-[(2S)-1,1-diethoxypropan-2-yl]-N-(quinolin-8-ylmethyl)propanamide
Names & synonyms
SCHEMBL1591637SPOPDMUDXRSOBG-SFTDATJTSA-N1-(4-chlorobenzyl)-3-(2-((S)-1-(((S)-1,1-diethoxypropan-2-yl)(quinolin-8-ylmethyl)amino)-1-oxopropan-2-ylamino)-2-oxoethoxy)urea
Database identifiers
- PubChem CID
- 86652604
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 15
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 839
Related reactions
1 records
Compound notes
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