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Chemical ID: 6412488
Chemical ID:
6412488
Name [?]:
N'-[(4-allyloxy-3-methoxy-phenyl)methyleneamino]-N-(3,4-dimethylphenyl)-oxamide
SMILES [?]:
Cc1ccc(cc1C)NC(=O)C(=O)NN=Cc2ccc(c(c2)OC)OCC=C
InChi [?]:
InChI=1/C21H23N3O4/c1-5-10-28-18-9-7-16(12-19(18)27-4)13-22-24-21(26)20(25)23-17-8-6-14(2)15(3)11-17/h5-9,11-13H,1,10H2,2-4H3,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:28,1,8,24,27,3,18,4,19,26,6,22,16,2,7,17,5,20,21,10,12,15,9,14,11,13,23,25/rA:28nCCCCCCCCNCOCONNCCCCCCCOCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s26;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H23N3O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.55628 |
Area: | 631.999 |
Solvation: | -6.2437 |
Coulombic: | -59.4824 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 381.425 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 4.08 |
LogP (Chemaxon): | 4.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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