5-Chloro-2-ethyl-13-(2-fluorophenoxymethyl)-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
Basic information
- Standard SMILES
CCN1c2ncc(COc3ccccc3F)cc2C(=O)N(C)c2ccc(Cl)nc21- InChIKey
VTGDAYQXDQQVAV-UHFFFAOYSA-N- Molecular formula
- C21H18ClFN4O2
- Average molar mass
- 412.8 g/mol
- Monoisotopic mass
- 412.1102317
Names & identifiers
- Preferred name
- 5-Chloro-2-ethyl-13-(2-fluorophenoxymethyl)-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
- IUPAC
- 5-chloro-2-ethyl-13-[(2-fluorophenoxy)methyl]-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
Names & synonyms
BDBM2032CHEMBL103399SCHEMBL6955975VTGDAYQXDQQVAV-UHFFFAOYSA-N2,8-disubstituted dipyridodiazepinone 122-chloro-11-ethyl-8-[(2-fluorophenoxy)methyl]-5-methyl-dipyrido[[?],[?]][1,4]diazepin-6-one2-Chloro-5,11-dihydro-11-ethyl-8-(2-fluorophenyloxy)-methyl-5-methyl-6H-dipyrido[3,2-b:2 ,3 -e][1,4]diazepin-6-one2-chloro-5,11-dihydro-11-ethyl-8-(2-fluorophenyloxy)methyl-5-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one5-chloro-2-ethyl-13-(2-fluorophenoxymethyl)-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one8-(2-Fluorophenyloxy)methyl-2-chloro-5,11-dihydro-11-ethyl-5-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
Database identifiers
- PubChem CID
- 470679
- ChEMBL
CHEMBL103399
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 585
Related reactions
1 records
Compound notes
Loading…