Basic information
- Standard SMILES
Cc1cc(=O)n(-c2cccc(NC(=O)OC(C)(C)C)c2)c2nc(S(C)(=O)=O)ncc12- InChIKey
KBZRQTWBXRYARA-UHFFFAOYSA-N- Molecular formula
- C20H22N4O5S
- Average molar mass
- 430.5 g/mol
- Monoisotopic mass
- 430.13109099
Names & identifiers
- Preferred name
- tert-butyl (3-(5-methyl-2-(methylsulfonyl)-7-oxopyrido[2,3-d]pyrimidin-8(7H)-yl)phenyl)carbamate
- IUPAC
- tert-butyl N-[3-(5-methyl-2-methylsulfonyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]carbamate
Names & synonyms
SCHEMBL16001207KBZRQTWBXRYARA-UHFFFAOYSA-Ntert-butyl (3-(5-methyl-2-(methylsulfonyl)-7-oxopyrido[2,3-d]pyrimidin-8(7H)-yl)phenyl)carbamate
Database identifiers
- PubChem CID
- 86732012
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 814
Related reactions
1 records
Compound notes
Loading…