Basic information
- Standard SMILES
CC(C)c1ccc2c(Nc3cc(C(=O)N(C)[C@@H](C)c4ccccc4)ccc3Sc3ccc(NC(=O)OC(C)(C)C)cc3)ncnc2n1- InChIKey
FPHVCVFRMALMGW-DEOSSOPVSA-N- Molecular formula
- C37H40N6O3S
- Average molar mass
- 648.8 g/mol
Names & identifiers
- Preferred name
- (S)-(4-{2-(7-Isopropyl-pyrido[2,3-d]pyrimidin-4-ylamino)-4-[methyl-(1-phenyl-ethyl)-carbamoyl]-phenylsulfanyl}-phenyl)-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[4-[4-[methyl-[(1S)-1-phenylethyl]carbamoyl]-2-[(7-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfanylphenyl]carbamate
Names & synonyms
SCHEMBL1455012FPHVCVFRMALMGW-DEOSSOPVSA-N(S)-(4-{2-(7-Isopropyl-pyrido[2,3-d]pyrimidin-4-ylamino)-4-[methyl-(1-phenyl-ethyl)-carbamoyl]-phenylsulfanyl}-phenyl)-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 67040484
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
1 records
Compound notes
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