Basic information
- Standard SMILES
CC(C)NCc1ccc2c(c1)OCCC2NC(=O)CC(NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1- InChIKey
RXMOHCXBCOKQLM-UHFFFAOYSA-N- Molecular formula
- C32H35N3O4S
- Average molar mass
- 557.7 g/mol
Names & identifiers
- Preferred name
- N-[7-(isopropylamino-methyl)-chroman-4-yl]-3-(naphthalen-2-yl-sulfonylamino)-3-phenyl-propionamide
- IUPAC
- 3-(naphthalen-2-ylsulfonylamino)-3-phenyl-N-[7-[(propan-2-ylamino)methyl]-3,4-dihydro-2H-chromen-4-yl]propanamide
Names & synonyms
SCHEMBL4139778RXMOHCXBCOKQLM-UHFFFAOYSA-NN-[7-(isopropylamino-methyl)-chroman-4-yl]-3-(naphthalen-2-yl-sulfonylamino)-3-phenyl-propionamide
Database identifiers
- PubChem CID
- 68928313
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 916
Related reactions
2 records
Compound notes
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