Ethyl 6-chloro-7-(4-(1-(3-chlorophenyl)pyrrolidin-3-ylcarbamoyl)phenoxy)chroman-4-carboxylate
Basic information
- Standard SMILES
CCOC(=O)C1CCOc2cc(Oc3ccc(C(=O)NC4CCN(c5cccc(Cl)c5)C4)cc3)c(Cl)cc21- InChIKey
XODIXVWTPCKJFK-UHFFFAOYSA-N- Molecular formula
- C29H28Cl2N2O5
- Average molar mass
- 555.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 6-chloro-7-(4-(1-(3-chlorophenyl)pyrrolidin-3-ylcarbamoyl)phenoxy)chroman-4-carboxylate
- IUPAC
- ethyl 6-chloro-7-[4-[[1-(3-chlorophenyl)pyrrolidin-3-yl]carbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylate
Names & synonyms
SCHEMBL1804022XODIXVWTPCKJFK-UHFFFAOYSA-Nethyl 6-chloro-7-(4-(1-(3-chlorophenyl)pyrrolidin-3-ylcarbamoyl)phenoxy)chroman-4-carboxylate
Database identifiers
- PubChem CID
- 67167107
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 810
Related reactions
4 records
Compound notes
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