3-(3'-Diethylaminopropyl-(1')-carbamoyl)-6,7-dimethoxy-1-thiaisochroman-1,1-dioxide
Basic information
- CAS
35423-52-0- Standard SMILES
CCN(CC)CCCNC(=O)C1Cc2cc(OC)c(OC)cc2S(=O)(=O)O1- InChIKey
ZYTFTBTUCHBTDH-UHFFFAOYSA-N- Molecular formula
- C18H28N2O6S
- Average molar mass
- 400.5 g/mol
- Monoisotopic mass
- 400.16680779
Names & identifiers
- Preferred name
- 3-(3'-Diethylaminopropyl-(1')-carbamoyl)-6,7-dimethoxy-1-thiaisochroman-1,1-dioxide
- IUPAC
- N-[3-(diethylamino)propyl]-6,7-dimethoxy-1,1-dioxo-3,4-dihydro-2,1λ6-benzoxathiine-3-carboxamide
- English name
- 3-(3'-diethylaminopropyl-(1')-carbamoyl)-6,7-dimethoxy-1-thiaisochroman-1,1-dioxide
- Molecular weight
- 0
Names & synonyms
35423-52-07V4480D4LK3-(3'-Diethylaminopropyl-(1')-carbamoyl)-6,7-dimethoxy-1-thiaisochroman-1,1-dioxide2,1-Benzoxathiin-3-carboxamide, N-(3-(diethylamino)propyl)-3,4-dihydro-6,7-dimethoxy-, 1,1-dioxide2,1-Benzoxathiin-3-carboxamide, N-[3-(diethylamino)propyl]-3,4-dihydro-6,7-dimethoxy-, 1,1-dioxideRefChem:910935UNII-7V4480D4LKSCHEMBL29350535DTXSID00956836PD162945Q272688911,1-dioxideN-(3-(diethylamino)propyl)-3,4-dihydro-6,7-dimethoxy-2,1-benzoxathiin-3-carboxamide
Show more names
N-(3-(DIETHYLAMINO)PROPYL)-3,4-DIHYDRO-6,7-DIMETHOXY-2,1-BENZOXATHIIN-3-CARBOXAMIDE, 1,1-DIOXIDEN-[3-(Diethylamino)propyl]-6,7-dimethoxy-1,1-dioxo-3,4-dihydro-1H-2,1lambda~6~-benzoxathiine-3-carboximidic acid
Database identifiers
- CAS
35423-52-0- PubChem CID
- 169692
- DTXSID
DTXSID00956836- UNII
- 7V4480D4LK
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 575
Physicochemical properties
- FDA UNII
- 7 V4480D4LK · 7V4480D4LK
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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