2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-((2,2-dimethyl-1,3-dioxolan-4-yl)methoxy)-1-methyl-5-phenyl-
Basic information
- CAS
40967-02-0- Standard SMILES
CN1C(=O)C(OCC2COC(C)(C)O2)N=C(c2ccccc2)c2cc(Cl)ccc21- InChIKey
JUMFEAXDHKDELJ-UHFFFAOYSA-N- Molecular formula
- C22H23ClN2O4
- Average molar mass
- 414.9 g/mol
- Monoisotopic mass
- 414.1346349
Names & identifiers
- Preferred name
- 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-((2,2-dimethyl-1,3-dioxolan-4-yl)methoxy)-1-methyl-5-phenyl-
- IUPAC
- 7-chloro-3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
Names & synonyms
BRN 076802740967-02-02H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-((2,2-dimethyl-1,3-dioxolan-4-yl)methoxy)-1-methyl-5-phenyl-5-25-02-00245 (Beilstein Handbook Reference)RefChem:2678827-chloro-3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1-methyl-5-phenyl-1,3-dihydro-2h-1,4-benzodiazepin-2-oneCHEMBL3249497DTXSID40961348
Database identifiers
- CAS
40967-02-0- PubChem CID
- 218636
- DTXSID
DTXSID40961348- ChEMBL
CHEMBL3249497- Nikkaji
- J69.317K
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 634
Experimental & physicochemical properties
LogP2.37
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…