Basic information
- Standard SMILES
COc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(-c3nc(N4CCOCC4)nc4c3CCN4c3cccc(S(=O)(=O)N4CCOCC4)c3)cn2)cc1- InChIKey
COXSRPVIDAVLMF-UHFFFAOYSA-N- Molecular formula
- C40H44N8O6S
- Average molar mass
- 764.9 g/mol
Names & identifiers
- Preferred name
- bis-(4-methoxy-benzyl)-(5-{7-[3-(morpholine-4-sulfonyl)-phenyl]-2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl}-pyrimidin-2-yl)-amine
- IUPAC
- N,N-bis[(4-methoxyphenyl)methyl]-5-[2-morpholin-4-yl-7-(3-morpholin-4-ylsulfonylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
Names & synonyms
SCHEMBL2376682COXSRPVIDAVLMF-UHFFFAOYSA-Nbis-(4-methoxy-benzyl)-(5-{7-[3-(morpholine-4-sulfonyl)-phenyl]-2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl}-pyrimidin-2-yl)-amine
Database identifiers
- PubChem CID
- 67385447
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 12
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,250
Related reactions
2 records
Compound notes
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