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Chemical ID: 7530960
Chemical ID:
7530960
Name [?]:
2-(4-cyano-2-methoxy-phenoxy)-N-(4-methoxy-2,5-dimethyl-phenyl)-acetamide
SMILES [?]:
Cc1cc(c(cc1OC)C)NC(=O)COc2ccc(cc2OC)C#N
InChi [?]:
InChI=1/C19H20N2O4/c1-12-8-17(23-3)13(2)7-15(12)21-19(22)11-25-16-6-5-14(10-20)9-18(16)24-4/h5-9H,11H2,1-4H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:10,1,9,23,18,17,3,6,20,24,14,5,2,19,4,16,7,21,12,25,11,13,8,22,15/rA:25nCCCCCCCOCCNCOCOCCCCCCOCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s5;s4;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s21;s22;s19;t24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20N2O4 |
All Atoms: | 45 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.25786 |
Area: | 576.514 |
Solvation: | -8.15497 |
Coulombic: | -43.2629 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 7 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.41 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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