Basic information
- Standard SMILES
CC(C)N1CC(=O)N(C)c2cnc(Nc3cc(NC(=O)C4CN(C(=O)OC(C)(C)C)CCO4)cc(S(C)(=O)=O)c3)nc21- InChIKey
COZXMUCZVXGCJF-UHFFFAOYSA-N- Molecular formula
- C27H37N7O7S
- Average molar mass
- 603.7 g/mol
- Monoisotopic mass
- 603.24751772
Names & identifiers
- Preferred name
- 2-[3-(8-Isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-pteridin-2-ylamino)-5-(methylsulfonyl)-phenylcarbamoyl]-morpholine-4-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 2-[[3-[(5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)amino]-5-methylsulfonylphenyl]carbamoyl]morpholine-4-carboxylate
Names & synonyms
SCHEMBL2872103COZXMUCZVXGCJF-UHFFFAOYSA-N2-[3-(8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-pteridin-2-ylamino)-5-(methylsulfonyl)-phenylcarbamoyl]-morpholine-4-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 68423256
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,110
Related reactions
2 records
Compound notes
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