Basic information
- Standard SMILES
COc1ccc(-c2ncnc3c(C(=O)NC4CCC(NC(=O)OC(C)(C)C)CC4)c[nH]c23)c(OCC2CC2)c1- InChIKey
YXDVFKJULHJRCO-UHFFFAOYSA-N- Molecular formula
- C29H37N5O5
- Average molar mass
- 535.6 g/mol
- Monoisotopic mass
- 535.2794693
Names & identifiers
- Preferred name
- cis-(4-{[4-(2-Cyclopropylmethoxy-4-methoxy-phenyl)-5H-pyrrolo[3,2-d]pyrimidine-7-carbonyl]-amino}-cyclohexyl)-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[4-[[4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-5H-pyrrolo[3,2-d]pyrimidine-7-carbonyl]amino]cyclohexyl]carbamate
Names & synonyms
SCHEMBL984572SCHEMBL984573SCHEMBL986296YXDVFKJULHJRCO-KDURUIRLSA-NYXDVFKJULHJRCO-WGSAOQKQSA-Ncis-(4-{[4-(2-Cyclopropylmethoxy-4-methoxy-phenyl)-5H-pyrrolo[3,2-d]pyrimidine-7-carbonyl]-amino}-cyclohexyl)-carbamic acid tert-butyl estertrans-(4-{[4-(2-Cyclopropylmethoxy-4-methoxy-phenyl)-5H-pyrrolo[3,2-d]pyrimidine-7-carbonyl]-amino}-cyclohexyl)-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 66867313
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 840
Related reactions
1 records
Compound notes
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