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Chemical ID: 7703477
Chemical ID:
7703477
Name [?]:
None
SMILES [?]:
CCc1ccc(cc1)NC(=O)C(=O)NN=Cc2cccc(c2)OCC=C
InChi [?]:
InChI=1/C20H21N3O3/c1-3-12-26-18-7-5-6-16(13-18)14-21-23-20(25)19(24)22-17-10-8-15(4-2)9-11-17/h3,5-11,13-14H,1,4,12H2,2H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:26,1,25,2,19,18,20,4,8,5,7,24,22,16,3,17,6,21,10,12,15,9,14,11,13,23/E:(8,9)(10,11)/rA:26nCCCCCCCCNCOCONNCCCCCCCOCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s23;s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21N3O3 |
All Atoms: | 47 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.4514 |
Area: | 623.786 |
Solvation: | -4.14329 |
Coulombic: | -54.1126 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 10 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.46 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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