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Chemical ID: 7336166
Chemical ID:
7336166
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)N2C(=O)c3ccccc3C(=CNc4c5ccccc5c6nc(cn6n4)C)C2=O
InChi [?]:
InChI=1/C28H21N5O2/c1-17-11-13-19(14-12-17)33-27(34)23-10-6-3-7-20(23)24(28(33)35)15-29-25-21-8-4-5-9-22(21)26-30-18(2)16-32(26)31-25/h3-16H,1-2H3,(H,29,31)
InChi Info:
AuxInfo=1/1/N:1,33,14,23,24,13,15,22,25,12,3,7,4,6,18,30,2,29,5,16,21,26,11,17,20,27,9,34,19,28,32,31,8,10,35/E:(11,12)(13,14)/rA:35nCCCCCCCNCOCCCCCCCCNCCCCCCCCNCCNNCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;w17;s18;s19;s20;s21;d22;s23;d24;d21s25;s26;d27;s28;d29;s27s30;d20s31;s29;s8s17;d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H21N5O2 |
All Atoms: | 56 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.4854 |
Area: | 675.076 |
Solvation: | -3.39147 |
Coulombic: | -51.0836 |
Bond Count [?]
All: | 40 |
Single: | 25 |
Double: | 15 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 459.499 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.52 |
LogP (Chemaxon): | 5.12 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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