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Chemical ID: 5636333
Chemical ID:
5636333
Name [?]:
N-(4-morpholino-9,10-dioxo-1-anthryl)benzamide
SMILES [?]:
c1ccc(cc1)C(=O)Nc2ccc(c3c2C(=O)c4ccccc4C3=O)N5CCOCC5
InChi [?]:
InChI=1/C25H20N2O4/c28-23-17-8-4-5-9-18(17)24(29)22-20(27-12-14-31-15-13-27)11-10-19(21(22)23)26-25(30)16-6-2-1-3-7-16/h1-11H,12-15H2,(H,26,30)
InChi Info:
AuxInfo=1/1/N:1,2,6,20,21,3,5,19,22,11,12,27,31,28,30,4,18,23,10,13,15,14,16,24,7,9,26,17,25,8,29/E:(2,3)(6,7)(12,13)(14,15)/rA:31nCCCCCCCONCCCCCCCOCCCCCCCONCCOCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s14s23;d24;s13;s26;s27;s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H20N2O4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0584 |
Area: | 599.368 |
Solvation: | -4.9258 |
Coulombic: | -53.5751 |
Bond Count [?]
All: | 35 |
Single: | 23 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 412.437 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.89 |
LogP (Chemaxon): | 4.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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