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Chemical ID: 6318093
Chemical ID:
6318093
Name [?]:
methyl 6-amino-5-cyano-4-(2,4-dimethoxyphenyl)-2-methyl-4H-pyran-3-carboxylate
SMILES [?]:
CC1=C(C(C(=C(O1)N)C#N)c2ccc(cc2OC)OC)C(=O)OC
InChi [?]:
InChI=1/C17H18N2O5/c1-9-14(17(20)23-4)15(12(8-18)16(19)24-9)11-6-5-10(21-2)7-13(11)22-3/h5-7,15H,19H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,20,18,24,13,12,15,9,2,14,11,5,16,3,4,6,21,10,8,22,19,17,23,7/rA:24cCCCCCCONCNCCCCCCOCOCCOOC/rB:s1;d2;s3;s4;d5;s2s6;s6;s5;t9;s4;s11;d12;s13;d14;d11s15;s16;s17;s14;s19;s3;d21;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2O5 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.7399 |
Area: | 502.871 |
Solvation: | -4.83187 |
Coulombic: | -59.4137 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 330.335 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 1.86 |
LogP (Chemaxon): | 0.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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