Chemical ID: 7695426

Cc1cccc(c1)NC(=O)COc2ccccc2C=C3C(=NN(C3=O)c4ccc(cc4)C(=O)O)C
Chemical ID:
7695426
Name [?]:
None
SMILES [?]:
Cc1cccc(c1)NC(=O)COc2ccccc2C=C3C(=NN(C3=O)c4ccc(cc4)C(=O)O)C
InChi [?]:
InChI=1/C27H23N3O5/c1-17-6-5-8-21(14-17)28-25(31)16-35-24-9-4-3-7-20(24)15-23-18(2)29-30(26(23)32)22-12-10-19(11-13-22)27(33)34/h3-15H,16H2,1-2H3,(H,28,31)(H,33,34)
InChi Info:
AuxInfo=1/1/N:1,35,16,15,4,3,17,5,14,28,30,27,31,7,19,11,2,21,29,18,6,26,20,13,9,24,32,8,22,23,10,25,33,34,12/E:(10,11)(12,13)(33,34)/rA:35nCCCCCCCNCOCOCCCCCCCCCNNCOCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;w19;s20;d21;s22;s20s23;d24;s23;s26;d27;s28;d29;d26s30;s29;d32;s32;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H23N3O5
All Atoms:58
Heavy Atoms:35
Chiral Atoms:None
ZAP Information [?]
Total:12.4967
Area:729.608
Solvation:-5.7435
Coulombic:-72.8613
Bond Count [?]
All:38
Single:24
Double:14
Rotors:8
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.47
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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