TL;DR: (2Z)-2-[(4-cyanophenyl)imino]-6-methoxy-2H-chromene-3-carboxamide (CAS 1321895-68-4) is a chemical compound with molecular formula C18H13N3O3 and molecular weight 319.0957 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-cyanophenyl)imino-6-methoxychromene-3-carboxamide
Also Known As: (2Z)-2-[(4-cyanophenyl)imino]-6-methoxy-2H-chromene-3-carboxamide, 2-(4-cyanophenyl)imino-6-methoxychromene-3-carboxamide, 2-(4-cyanophenyl)imino-6-methoxy-chromene-3-carboxamide
| Molecular Formula | C18H13N3O3 |
| Molecular Weight | 319.0957 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 97.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.0957 Da |
| Heavy Atoms | 24 |
| Complexity | 596.0 |
| SMILES | COC1=CC2=C(C=C1)OC(=NC3=CC=C(C=C3)C#N)C(=C2)C(=O)N |
| InChIKey | YSHJHMJNMGEUEZ-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2Z)-2-[(4-cyanophenyl)imino]-6-methoxy-2H-chromene-3-carboxamide. The TPSA of 97.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-2-[(4-cyanophenyl)imino]-6-methoxy-2H-chromene-3-carboxamide. Following Lipinski's Rule of Five, (2Z)-2-[(4-cyanophenyl)imino]-6-methoxy-2H-chromene-3-carboxamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2Z)-2-[(4-cyanophenyl)imino]-6-methoxy-2H-chromene-3-carboxamide is 1321895-68-4.
The molecular formula of (2Z)-2-[(4-cyanophenyl)imino]-6-methoxy-2H-chromene-3-carboxamide is C18H13N3O3.
The molecular weight of (2Z)-2-[(4-cyanophenyl)imino]-6-methoxy-2H-chromene-3-carboxamide is 319.0957 g/mol.
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