Basic information
- Standard SMILES
CCN1c2ncc(CCc3ccccc3)cc2C(=O)N(C)c2ccc(-c3ccc[nH]3)nc21- InChIKey
SCSCSULICXWXAV-UHFFFAOYSA-N- Molecular formula
- C26H25N5O
- Average molar mass
- 423.5 g/mol
Names & identifiers
- Preferred name
- 2-ethyl-9-methyl-13-(2-phenylethyl)-5-(1H-pyrrol-2-yl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
- IUPAC
- 2-ethyl-9-methyl-13-(2-phenylethyl)-5-(1H-pyrrol-2-yl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
Names & synonyms
BDBM2094SCHEMBL6954889SCSCSULICXWXAV-UHFFFAOYSA-N2,8-substituted dipyridodiazepinone 3511-ethyl-5-methyl-8-phenethyl-2-(1H-pyrrol-2-yl)dipyrido[[?],[?]][1,4]diazepin-6-one2-ethyl-9-methyl-13-(2-phenylethyl)-5-(1H-pyrrol-2-yl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one5,11-Dihydro-11-ethyl-5-methyl-8-(2-phenylethyl)-2-(2-pyrrolyl)-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one8-(2-Phenylethyl)-N11-ethyl-N5-methyl-2-(2-pyrrolyl)-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
Database identifiers
- PubChem CID
- 470743
- Nikkaji
- J992.936C
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 638
Related reactions
1 records
Compound notes
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