Basic information
- Standard SMILES
Cn1cc(-c2cccc(N3CCNc4cc(C(C)(C)C)ccc4C3=O)c2C=O)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O- InChIKey
LDTQDZZGVIPICW-UHFFFAOYSA-N- Molecular formula
- C36H38N6O5
- Average molar mass
- 634.7 g/mol
Names & identifiers
- Preferred name
- 2-(8-tert-Butyl-5-oxo-1,2,3,5-tetrahydro-benzo[e][1,4]diazepin-4-yl)-6-{1-methyl-5-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-6-oxo-1,6-dihydro-pyridin-3-yl}-benzaldehyde
- IUPAC
- 2-(8-tert-butyl-5-oxo-2,3-dihydro-1H-1,4-benzodiazepin-4-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde
Names & synonyms
SCHEMBL695204LDTQDZZGVIPICW-UHFFFAOYSA-N2-(8-tert-Butyl-5-oxo-1,2,3,5-tetrahydro-benzo[e][1,4]diazepin-4-yl)-6-{1-methyl-5-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-6-oxo-1,6-dihydro-pyridin-3-yl}-benzaldehyde
Database identifiers
- PubChem CID
- 59548529
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,250
Related reactions
3 records
Compound notes
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