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Chemical ID: 7695426
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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