3-(3-Chlorobenzyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione
Basic information
- CAS
81215-70-5- Standard SMILES
O=C1CN(Cc2cccc(Cl)c2)CC(=O)N2Cc3ccccc3CN12- InChIKey
QMZHOPRQSGJBFC-UHFFFAOYSA-N- Molecular formula
- C19H18ClN3O2
- Average molar mass
- 355.8 g/mol
- Monoisotopic mass
- 355.1087545
Names & identifiers
- Preferred name
- 3-(3-Chlorobenzyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione
- IUPAC
- 3-[(3-chlorophenyl)methyl]-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dione
Names & synonyms
81215-70-53-(3-Chlorobenzyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dioneNSC340346NSC-3403463-(3-Chlorobenzyl)-3,4,7,12-tetrahydro-1H-[1,2,5]triazepino[1,2-b]phthalazine-1,5(2H)-dione784C7M92763-[(3-chlorophenyl)methyl]-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dione3-((3-CHLOROPHENYL)METHYL)-2,4,7,12-TETRAHYDRO-(1,2,5)TRIAZEPINO(1,2-B)PHTHALAZINE-1,5-DIONE3-((3-CHLOROPHENYL)METHYL)-3,4,7,12-TETRAHYDRO-1H-(1,2,5)TRIAZEPINO(1,2-B)PHTHALAZINE-1,5(2H)-DIONE3-(3-CHLOROBENZYL)-3,4,7,12-TETRAHYDRO-1H-(1,2,5)TRIAZEPINO[1,2-B]PHTHALAZINE-1,5(2H)-DIONE3-[(3-Chlorophenyl)methyl]-3,4,7,12-tetrahydro-1H-[1,2,5]triazepino[1,2-b]phthalazine-1,5(2H)-dioneNSC 340346
Show more names
DTXSID20230948UNII-784C7M9276DS-0138101H-(1,2,5)TRIAZEPINO(1,2-B)PHTHALAZINE-1,5(2H)-DIONE, 3-((3-CHLOROPHENYL)METHYL)-3,4,7,12-TETRAHYDRO-
Database identifiers
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
- 495
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Compound notes
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