AC1N6RGD
4-[[3-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
Also Known As: A2971/0125200|4-[({(2Z)-3-(4-fluorobenzyl)-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid|(Z)-4-(3-(4-fluorobenzyl)-2-((4-methoxyphenyl)imino)-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid|4-({3-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)azamethylene]-4-oxo-1,3-thi azaperhydroin-6-yl}carbonylamino)benzoic acid|4-[(2Z)-3-[(4-FLUOROPHENYL)METHYL]-2-[(4-METHOXYPHENYL)IMINO]-4-OXO-1,3-THIAZINANE-6-AMIDO]BENZOIC ACID|4-[[3-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
| Molecular Formula | C26H22FN3O5S |
|---|---|
| Molecular Weight | 507.12643 g/mol |
| LogP | 4.693 |
| Topological Polar Surface Area | 108.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 507.12643 |
| Monoisotopic Mass | 507.12643 |
| Heavy Atoms | 36 |
| Complexity | 1294.6648 |
Chemical Identifiers
| CAS Number | 519146-36-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC3=CC=C(C=C3)C(=O)O)CC4=CC=C(C=C4)F |
Product Overview
AC1N6RGD (CAS 519146-36-2), with molecular formula C26H22FN3O5S and molecular weight 507.12643 g/mol. IUPAC: 4-[[3-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid.