Basic information
- Standard SMILES
COc1cccc(CN(C(=O)C2=C(c3cnc(OCCO)s3)CC3CN(C(=O)OC(C)(C)C)CC2N3C(=O)OC(C)(C)C)C2CC2)c1C- InChIKey
GAEOUBREPSJSKT-UHFFFAOYSA-N- Molecular formula
- C35H48N4O8S
- Average molar mass
- 684.8 g/mol
Names & identifiers
- Preferred name
- 6-[Cyclopropyl-(3-methoxy-2-methylbenzyl)carbamoyl]-7-[2-(2-hydroxyethoxy)thiazol-5-yl]-3,9-diazabicyclo[3.3.1]non-6-ene-3,9-dicarboxylic acid di-tert-butyl ester
- IUPAC
- ditert-butyl 6-[cyclopropyl-[(3-methoxy-2-methylphenyl)methyl]carbamoyl]-7-[2-(2-hydroxyethoxy)-1,3-thiazol-5-yl]-3,9-diazabicyclo[3.3.1]non-6-ene-3,9-dicarboxylate
Names & synonyms
SCHEMBL3258738GAEOUBREPSJSKT-UHFFFAOYSA-N6-[Cyclopropyl-(3-methoxy-2-methylbenzyl)carbamoyl]-7-[2-(2-hydroxyethoxy)thiazol-5-yl]-3,9-diazabicyclo[3.3.1]non-6-ene-3,9-dicarboxylic acid di-tert-butyl ester
Database identifiers
- PubChem CID
- 68570797
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 13
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,210
Related reactions
6 records
Compound notes
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