Basic information
- Standard SMILES
CCOC(=O)c1cc(Nc2ncnc3nc(C(C)C)ccc23)c(Sc2ccc(NC(=O)OCC3c4ccccc4-c4ccccc43)cc2)s1- InChIKey
RPFMYZDCOKJHOZ-UHFFFAOYSA-N- Molecular formula
- C38H33N5O4S2
- Average molar mass
- 687.8 g/mol
Names & identifiers
- Preferred name
- Ethyl 5-(4-(((9H-fluoren-9-yl)methoxy)carbonylamino)phenylthio)-4-(7-isopropylpyrido[2,3-d]pyrimidin-4-ylamino)thiophene-2-carboxylate
- IUPAC
- ethyl 5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]sulfanyl-4-[(7-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)amino]thiophene-2-carboxylate
Names & synonyms
SCHEMBL1455020RPFMYZDCOKJHOZ-UHFFFAOYSA-NEthyl 5-(4-(((9H-fluoren-9-yl)methoxy)carbonylamino)phenylthio)-4-(7-isopropylpyrido[2,3-d]pyrimidin-4-ylamino)thiophene-2-carboxylate
Database identifiers
- PubChem CID
- 67040489
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
2 records
Compound notes
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