13-Bromo-2-ethyl-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
Basic information
- CAS
162109-00-4- Standard SMILES
CCN1c2ncc(Br)cc2C(=O)N(C)c2cccnc21- InChIKey
BJEIQNJCEZCSQI-UHFFFAOYSA-N- Molecular formula
- C14H13BrN4O
- Average molar mass
- 333.18 g/mol
- Monoisotopic mass
- 332.02727
Names & identifiers
- Preferred name
- 13-Bromo-2-ethyl-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
- IUPAC
- 13-bromo-2-ethyl-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
- English name
- 6H-Dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one,8-bromo-11-ethyl-5,11-dihydro-5-methyl-
- Molecular formula
- C14H13BrN4O
- Molecular weight
- 333.18
Names & synonyms
162109-00-413-Bromo-2-ethyl-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-oneCHEMBL21153268-Bromo-11-ethyl-5-methyl-5H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6(11H)-oneSCHEMBL5745003DTXSID50332722BDBM50407739DB-0502238-bromo-11-ethyl-5-methyl-dipyrido[[?],[?]][1,4]diazepin-6-one8-Bromo-11-ethyl-5-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one8-Bromo-11-ethyl-5-methyldipyrido[3,2-b:2',3'-e][1,4]diazepin-6(5H)-one13-bromo-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0(3),]pentadeca-1(15),3,5,7,11,13-hexaen-10-one
Show more names
6H-Dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one,8-bromo-11-ethyl-5,11-dihydro-5-methyl-
13-bromo-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0,pentadeca-1(15),3,5,7,11,13-hexaen-10-one
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 380
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
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Compound notes
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