AC1MTMZ8
4-[[3-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
Also Known As: A2976/0125446|4-[({(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid|(Z)-4-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((2-fluorophenyl)imino)-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid|4-({3-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)-2-[(2-fluorophenyl)azamethylene ]-4-oxo-1,3-thiazaperhydroin-6-yl}carbonylamino)benzoic acid|4-[(2Z)-3-(2H-1,3-BENZODIOXOL-5-YLMETHYL)-2-[(2-FLUOROPHENYL)IMINO]-4-OXO-1,3-THIAZINANE-6-AMIDO]BENZOIC ACID|4-[(2Z)-3-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-2-[(2-FLUOROPHENYL)IMINO]-4-OXO-1,3-THIAZINANE-6-AMIDO]BENZOIC ACID|4-[[3-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
| Molecular Formula | C26H20FN3O6S |
|---|---|
| Molecular Weight | 521.1057 g/mol |
| LogP | 4.4131 |
| Topological Polar Surface Area | 117.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 521.1057 |
| Monoisotopic Mass | 521.1057 |
| Heavy Atoms | 37 |
| Complexity | 1411.6759 |
Chemical Identifiers
| CAS Number | 522649-79-2 |
|---|---|
| SMILES | C1C(SC(=NC2=CC=CC=C2F)N(C1=O)CC3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=C(C=C5)C(=O)O |
Product Overview
AC1MTMZ8 (CAS 522649-79-2), with molecular formula C26H20FN3O6S and molecular weight 521.1057 g/mol. IUPAC: 4-[[3-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid.