Basic information
- Standard SMILES
CC(C)c1ccc2c(Nc3cc(C(=O)NCc4cccs4)ccc3Sc3ccc(NC(=O)OC(C)(C)C)cc3)ncnc2n1- InChIKey
YXIJLTYSUXRPOA-UHFFFAOYSA-N- Molecular formula
- C33H34N6O3S2
- Average molar mass
- 626.8 g/mol
- Monoisotopic mass
- 626.21338131
Names & identifiers
- Preferred name
- (4-{2-(7-Isopropyl-pyrido[2,3-d]pyrimidin-4-ylamino)-4-[(thiophen-2-ylmethyl)-carbamoyl]-phenylsulfanyl}-phenyl)-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[4-[2-[(7-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)amino]-4-(thiophen-2-ylmethylcarbamoyl)phenyl]sulfanylphenyl]carbamate
Names & synonyms
SCHEMBL1454884YXIJLTYSUXRPOA-UHFFFAOYSA-N(4-{2-(7-Isopropyl-pyrido[2,3-d]pyrimidin-4-ylamino)-4-[(thiophen-2-ylmethyl)-carbamoyl]-phenylsulfanyl}-phenyl)-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 67040422
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 943
Related reactions
2 records
Compound notes
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