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Chemical ID: 3950311
Chemical ID:
3950311
Name [?]:
2-(5-bromo-2,3-dioxo-indolin-1-yl)-N-(4-morpholinophenyl)-acetamide
SMILES [?]:
c1cc(ccc1NC(=O)CN2c3ccc(cc3C(=O)C2=O)Br)N4CCOCC4
InChi [?]:
InChI=1/C20H18BrN3O4/c21-13-1-6-17-16(11-13)19(26)20(27)24(17)12-18(25)22-14-2-4-15(5-3-14)23-7-9-28-10-8-23/h1-6,11H,7-10,12H2,(H,22,25)
InChi Info:
AuxInfo=1/1/N:14,1,5,2,4,13,24,28,25,27,16,10,15,6,3,17,12,8,18,20,22,7,23,11,9,19,21,26/E:(2,3)(4,5)(7,8)(9,10)/rA:28nCCCCCCNCOCNCCCCCCCOCOBrNCCOCC/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;d18;s11s18;d20;s15;s3;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18BrN3O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.06125 |
Area: | 600.091 |
Solvation: | -5.94102 |
Coulombic: | -60.5642 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 444.279 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.07 |
LogP (Chemaxon): | 2.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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