3-[3-(carbamoyloxymethyl)-6-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl]propyl acetate
Basic information
- CAS
84102-13-6- Standard SMILES
CC(=O)OCCCn1nc(COC(N)=O)c2c1CC(C)CC2=O- InChIKey
QWLSUFCYEAJLGU-UHFFFAOYSA-N- Molecular formula
- C15H21N3O5
- Average molar mass
- 323.34 g/mol
- Monoisotopic mass
- 323.14812077
Names & identifiers
- Preferred name
- 3-[3-(carbamoyloxymethyl)-6-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl]propyl acetate
- IUPAC
- 3-[3-(carbamoyloxymethyl)-6-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl]propyl acetate
Names & synonyms
NSC37232284102-13-63-[3-(carbamoyloxymethyl)-6-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl]propyl acetateDTXSID90321236NSC-3723223-(3-{[(Aminocarbonyl)oxy]methyl}-6-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)propyl acetate3-{3-[(Carbamoyloxy)methyl]-6-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl}propyl acetate
Database identifiers
- CAS
84102-13-6- PubChem CID
- 340987
- DTXSID
DTXSID90321236
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 470
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Compound notes
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