AC1NY29Z
4-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]butanoic acid
Also Known As: BAS 01506665|SR-01000448894-1|(Z)-4-(3-(benzo[d][1,3]dioxol-5-yl)-2-(2-methoxybenzamido)acrylamido)butanoic acid|4-[(2Z)-3-(2H-1,3-BENZODIOXOL-5-YL)-2-[(2-METHOXYPHENYL)FORMAMIDO]PROP-2-ENAMIDO]BUTANOIC ACID|4-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]butanoic acid|4-{[(2Z)-3-(1,3-benzodioxol-5-yl)-2-{[(2-methoxyphenyl)carbonyl]amino}prop-2-enoyl]amino}butanoic acid
| Molecular Formula | C22H22N2O7 |
|---|---|
| Molecular Weight | 426.1427 g/mol |
| LogP | 2.1758 |
| Topological Polar Surface Area | 123.19 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 426.1427 |
| Monoisotopic Mass | 426.1427 |
| Heavy Atoms | 31 |
| Complexity | 1016.66907 |
Chemical Identifiers
| CAS Number | 332374-75-1 |
|---|---|
| SMILES | COC1=CC=CC=C1C(=O)N/C(=C\C2=CC3=C(C=C2)OCO3)/C(=O)NCCCC(=O)O |
Product Overview
AC1NY29Z (CAS 332374-75-1), with molecular formula C22H22N2O7 and molecular weight 426.1427 g/mol. IUPAC: 4-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]butanoic acid.
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