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Chemical ID: 7704348
Chemical ID:
7704348
Name [?]:
None
SMILES [?]:
c1ccc(cc1)NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc3ccc4c(c3)OCO4
InChi [?]:
InChI=1/C23H18N4O5/c28-21(25-16-6-2-1-3-7-16)17-8-4-5-9-18(17)26-22(29)23(30)27-24-13-15-10-11-19-20(12-15)32-14-31-19/h1-13H,14H2,(H,25,28)(H,26,29)(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,13,3,5,11,14,25,26,29,23,31,24,4,10,15,27,28,8,17,19,22,7,16,21,9,18,20,32,30/E:(2,3)(6,7)/rA:32nCCCCCCNCOCCCCCCNCOCONNCCCCCCCOCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;d17;s17;d19;s19;s21;w22;s23;s24;d25;s26;d27;d24s28;s28;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18N4O5 |
All Atoms: | 50 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.2739 |
Area: | 675.136 |
Solvation: | -5.60447 |
Coulombic: | -82.1437 |
Bond Count [?]
All: | 35 |
Single: | 22 |
Double: | 13 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.18 |
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.
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