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Chemical ID: 7703889
Chemical ID:
7703889
Name [?]:
None
SMILES [?]:
CCc1ccc(cc1)NC(=O)C(=O)NN=Cc2cccc(c2O)CC=C
InChi [?]:
InChI=1/C20H21N3O3/c1-3-6-15-7-5-8-16(18(15)24)13-21-23-20(26)19(25)22-17-11-9-14(4-2)10-12-17/h3,5,7-13,24H,1,4,6H2,2H3,(H,22,25)(H,23,26)
InChi Info:
AuxInfo=1/1/N:26,1,25,2,19,24,20,18,4,8,5,7,16,3,21,17,6,22,10,12,15,9,14,23,11,13/E:(9,10)(11,12)/rA:26nCCCCCCCCNCOCONNCCCCCCCOCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s21;s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21N3O3 |
All Atoms: | 47 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.7639 |
Area: | 601.746 |
Solvation: | -4.27972 |
Coulombic: | -62.009 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.6 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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