Basic information
- Standard SMILES
COC(=O)NC(C(=O)N1CC2(CC2)CC1c1ncc(-c2ccc3cc(Br)ccc3c2)[nH]1)C(C)C- InChIKey
VBKGGSVMMBRSOI-UHFFFAOYSA-N- Molecular formula
- C26H29BrN4O3
- Average molar mass
- 525.4 g/mol
Names & identifiers
- Preferred name
- (1-{6-[5-(6-Bromo-naphthalen-2-yl)-1H-imidazol-2-yl]-5-aza-spiro[2.4]heptane-5-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester
- IUPAC
- methyl N-[1-[6-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate
Names & synonyms
(1-{6-[5-(6-bromo-naphthalen-2-yl)-1H-imidazol-2-yl]-5-aza-spiro[2.4]heptane-5-carbonyl]-2-methyl-propyl)-carbamic acid methyl ester(1-{6-[5-(6-Bromo-naphthalen-2-yl)-1H-imidazol-2-yl]-5-aza-spiro[2.4]heptane-5-carbonyl}-2-methyl-propyl)-carbamic acid methyl esterSCHEMBL204788VBKGGSVMMBRSOI-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 66620764
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 775
Related reactions
25 records
Compound notes
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