Basic information
- CAS
81215-69-2- Standard SMILES
O=C1CN(Cc2ccc(Cl)cc2)CC(=O)N2Cc3ccccc3CN12- InChIKey
UINHGWHMJLILRO-UHFFFAOYSA-N- Molecular formula
- C19H18ClN3O2
- Average molar mass
- 355.8 g/mol
- Monoisotopic mass
- 355.1087545
Names & identifiers
- Preferred name
- 3-(4-Chlorobenzyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione
- IUPAC
- 3-[(4-chlorophenyl)methyl]-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dione
Names & synonyms
81215-69-23-(4-Chlorobenzyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dioneNSC3403453-(4-Chlorobenzyl)-3,4,7,12-tetrahydro-1H-[1,2,5]triazepino[1,2-b]phthalazine-1,5(2H)-dioneNSC-3403453-(4-CHLOROBENZYL)-3,4,7,12-TETRAHYDRO-1H-(1,2,5)TRIAZEPINO[1,2-B]PHTHALAZINE-1,5(2H)-DIONENSC 3403453-[(4-chlorophenyl)methyl]-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dioneUTK6M2M6C5DTXSID60230947DS-0045631H-[1,2,5]Triazepino[1,2-b]phthalazine-1,5(2H)-dione, 3-[(4-chlorophenyl)methyl]-3,4,7,12-tetrahydro-
Show more names
3-[(4-CHLOROPHENYL)METHYL]-1H,2H,3H,4H,5H,7H,12H-[1,2,5]TRIAZEPINO[1,2-B]PHTHALAZINE-1,5-DIONE3-[(4-Chlorophenyl)methyl]-3,4,7,12-tetrahydro-1H-[1,2,5]triazepino[1,2-b]phthalazine-1,5(2H)-dione
Database identifiers
- CAS
81215-69-2- PubChem CID
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 487
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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