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Chemical ID: 6214741
Chemical ID:
6214741
Name [?]:
None
SMILES [?]:
Cc1cc(cc(c1)Nc2c-3c4c(cccc4n(c2=O)C)C(=O)c5c3cccc5)C
InChi [?]:
InChI=1/C25H20N2O2/c1-14-11-15(2)13-16(12-14)26-23-22-17-7-4-5-8-18(17)24(28)19-9-6-10-20(21(19)22)27(3)25(23)29/h4-13,26H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,20,26,27,14,25,28,13,15,3,7,5,2,4,6,24,23,12,16,11,10,9,21,18,8,17,22,19/E:(1,2)(12,13)(14,15)/rA:29nCCCCCCCNCCCCCCCCNCOCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s11;d12;s13;d14;d11s15;s16;s9s17;d18;s17;s12;d21;s21;s10s23;d24;s25;d26;d23s27;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H20N2O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1215 |
Area: | 558.639 |
Solvation: | -2.84443 |
Coulombic: | -39.5772 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 380.439 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.61 |
LogP (Chemaxon): | 5.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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