4-[2-(11-Ethyl-6,11-dihydro-5-methyl-6-oxo-5h-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethoxy]-3-methylbenzoic acid
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCN1c2ncc(CCOc3ccc(C(=O)O)cc3C)cc2C(=O)N(C)c2cccnc21- InChIKey
CSOUXLJIXTUXNU-UHFFFAOYSA-N- Molecular formula
- C24H24N4O4
- Average molar mass
- 432.5 g/mol
Names & identifiers
- Preferred name
- 4-[2-(11-Ethyl-6,11-dihydro-5-methyl-6-oxo-5h-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethoxy]-3-methylbenzoic acid
- IUPAC
- 4-[2-(2-ethyl-9-methyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-13-yl)ethoxy]-3-methylbenzoic acid
Names & synonyms
CHEMBL192530SCHEMBL4702763CSOUXLJIXTUXNU-UHFFFAOYSA-NBDBM501719714-[2-(11-ethyl-5-methyl-6-oxo-dipyrido[[?],[?]][1,4]diazepin-8-yl)ethoxy]-3-methyl-benzoic acid4-[2-(11-ethyl-6,11-dihydro-5-methyl-6-oxo-5h-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethoxy]-3-methylbenzoic acid4-[2-(5-Ethyl-10-methyl-11-oxo-10,11-dihydro-5H-4,5,6,10-tetraaza-dibenzo[a,d]cyclohepten-2-yl)-ethoxy]-3-methyl-benzoic acidBenzoic acid, 4-[2-(11-ethyl-6,11-dihydro-5-methyl-6-oxo-5H-dipyrido[2,3-e:3',2'-b][1,4]diazepin-8-yl)ethoxy]-3-methyl-
Database identifiers
- PubChem CID
- 3012020
- ChEMBL
CHEMBL192530
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 676
Related reactions
2 records
Compound notes
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