Chemical ID: 6318093

CC1=C(C(C(=C(O1)N)C#N)c2ccc(cc2OC)OC)C(=O)OC
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

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Descriptor Annotations

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