Basic information
- CAS
62903-59-7- Standard SMILES
C#CCOC1=NCC(=O)N(C)c2ccc(Cl)cc21- InChIKey
NUIHNVRJVSYJRB-UHFFFAOYSA-N- Molecular formula
- C13H11ClN2O2
- Average molar mass
- 262.69 g/mol
- Monoisotopic mass
- 262.0509053
Names & identifiers
- Preferred name
- 3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-1-methyl-5-(2-propynyloxy)-
- IUPAC
- 7-chloro-1-methyl-5-prop-2-ynoxy-3H-1,4-benzodiazepin-2-one
- English name
- 7-Chloro-1-methyl-5-(2-propynyloxy)-1H-1,4-benzodiazepin-2(3H)-one
- Molecular formula
- C13H11ClN2O2
- Molecular weight
- 262.69
Names & synonyms
62903-59-73H-1,4-BENZODIAZEPIN-2(1H)-ONE, 7-CHLORO-1-METHYL-5-(2-PROPYNYLOXY)-BRN 06655117-Chloro-1-methyl-5-(2-propynyloxy)-3H-1,4-benzodiazepin-2(1H)-oneCHEMBL3277017DTXSID002120857-Chloro-1-methyl-5-(2-propynyloxy)-1H-1,4-benzodiazepin-2(3H)-oneDB-3072807-Chloro-1-methyl-5-[(prop-2-yn-1-yl)oxy]-1,3-dihydro-2H-1,4-benzodiazepin-2-one2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-1-methyl-5-(2-propyn-1-yloxy)-
Database identifiers
- CAS
62903-59-7- PubChem CID
- 44192
- DTXSID
DTXSID00212085- ChEMBL
CHEMBL3277017- Nikkaji
- J69.309J
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 412
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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