Basic information
- Standard SMILES
Cc1c[nH]c2ncc(-c3ccccc3)c(N3CCN(C(=O)C(CCNC(=O)OC(C)(C)C)Cc4ccc(Cl)cc4)CC3)c12- InChIKey
LIEYFMWRSWEFGT-UHFFFAOYSA-N- Molecular formula
- C34H40ClN5O3
- Average molar mass
- 602.2 g/mol
- Monoisotopic mass
- 601.2819678
Names & identifiers
- Preferred name
- Tert-butyl 3-(4-chlorobenzyl)-4-(4-(3-methyl-5-phenyl-1h-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl)-4-oxobutylcarbamate
- IUPAC
- tert-butyl N-[3-[(4-chlorophenyl)methyl]-4-[4-(3-methyl-5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]-4-oxobutyl]carbamate
Names & synonyms
SCHEMBL3718272LIEYFMWRSWEFGT-UHFFFAOYSA-Ntert-butyl 3-(4-chlorobenzyl)-4-(4-(3-methyl-5-phenyl-1H-pyrrolo[2,3-b]pyri din-4-yl)piperazin-1-yl)-4-oxobutylcarbamatetert-butyl 3-(4-chlorobenzyl)-4-(4-(3-methyl-5-phenyl-1h-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl)-4-oxobutylcarbamate
Database identifiers
- PubChem CID
- 68758679
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 908
Related reactions
1 records
Compound notes
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