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Basic information
- Standard SMILES
Cc1cc(Cl)c(OCCOc2ccc(CC(CNC(=O)OC(C)(C)C)C(=O)N(Cc3ccncc3)C3CC3)cc2)c(Cl)c1- InChIKey
IPJKPWPEEBRKMQ-UHFFFAOYSA-N- Molecular formula
- C33H39Cl2N3O5
- Average molar mass
- 628.6 g/mol
- Monoisotopic mass
- 627.2266767
Names & identifiers
- Preferred name
- tert-Butyl (3-[cyclopropyl(pyridin-4-ylmethyl)amino]-2-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]benzyl}-3-oxopropyl)carbamate
- IUPAC
- tert-butyl N-[3-[cyclopropyl(pyridin-4-ylmethyl)amino]-2-[[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]methyl]-3-oxopropyl]carbamate
Names & synonyms
IPJKPWPEEBRKMQ-UHFFFAOYSA-Ntert-Butyl (3-[cyclopropyl(pyridin-4-ylmethyl)amino]-2-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]benzyl}-3-oxopropyl)carbamate
Database identifiers
- PubChem CID
- 86635948
Properties
Computed structural propertiesFilling in
- XLogP
- 6.6
- Topological polar surface area
- 90 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 859
Related reactions
5 records
Compound notes
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