AC1LD5X9
3-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethoxyphenyl)imino-N-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
Also Known As: NCGC00066576-02|(Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((4-ethoxyphenyl)imino)-N-ethyl-4-oxo-1,3-thiazinane-6-carboxamide|3-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethoxyphenyl)imino-N-ethyl-4-oxo-1,3-thiazinane-6-carboxamide|N-ethyl-4-keto-3-piperonyl-2-p-phenetylimino-1,3-thiazinane-6-carboxamide|(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethoxyphenyl)imino]-N-ethyl-4-oxo-1,3-thiazinane-6-carboxamide|3-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethoxyphenyl)imino-N-ethyl-4-oxidanylidene-1,3-thiazinane-6-carboxamide
| Molecular Formula | C23H25N3O5S |
|---|---|
| Molecular Weight | 455.1515 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 455.1515 |
| Monoisotopic Mass | 455.1515 |
| Heavy Atoms | 32 |
| Complexity | 697.0 |
Chemical Identifiers
| CAS Number | 1164515-13-2 |
|---|---|
| SMILES | CCNC(=O)C1CC(=O)N(C(=NC2=CC=C(C=C2)OCC)S1)CC3=CC4=C(C=C3)OCO4 |
| InChIKey | MJZBXLVKKZBHHZ-UHFFFAOYSA-N |
Product Overview
AC1LD5X9 (CAS 1164515-13-2), with molecular formula C23H25N3O5S and molecular weight 455.1515 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethoxyphenyl)imino-N-ethyl-4-oxo-1,3-thiazinane-6-carboxamide.