2-Ethyl-4-(1-pyrrolidyl)-2H-naphtho[2,1-e]-1,2-thiazine-1,1-dioxide
Basic information
- CAS
61764-57-6- Standard SMILES
CCN1C=C(N2CCCC2)c2ccc3ccccc3c2S1(=O)=O- InChIKey
UXOLJLBXMCJEBO-UHFFFAOYSA-N- Molecular formula
- C18H20N2O2S
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.12454906
Names & identifiers
- Preferred name
- 2-Ethyl-4-(1-pyrrolidyl)-2H-naphtho[2,1-e]-1,2-thiazine-1,1-dioxide
- IUPAC
- 2-ethyl-4-pyrrolidin-1-ylbenzo[h][1,2]benzothiazine 1,1-dioxide
Names & synonyms
61764-57-62-Ethyl-4-(1-pyrrolidyl)-2H-naphtho[2,1-e]-1,2-thiazine-1,1-dioxideSCHEMBL11845632DTXSID70615004UXOLJLBXMCJEBO-UHFFFAOYSA-N2-Ethyl-4-(pyrrolidin-1-yl)-1lambda~6~-naphtho[2,1-e][1,2]thiazine-1,1(2H)-dione
Database identifiers
- CAS
61764-57-6- PubChem CID
- 21498097
- DTXSID
DTXSID70615004
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 49 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 574
Related reactions
2 records
Compound notes
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