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Chemical ID: 5464584
Chemical ID:
5464584
Name [?]:
N-[4-(2-methyl-1H-indol-3-yl)thiazol-2-yl]-2-morpholino-acetamide
SMILES [?]:
Cc1c(c2ccccc2[nH]1)c3csc(n3)NC(=O)CN4CCOCC4
InChi [?]:
InChI=1/C18H20N4O2S/c1-12-17(13-4-2-3-5-14(13)19-12)15-11-25-18(20-15)21-16(23)10-22-6-8-24-9-7-22/h2-5,11,19H,6-10H2,1H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,6,7,5,8,21,25,22,24,19,12,2,4,9,11,17,3,14,10,15,16,20,18,23,13/E:(6,7)(8,9)/rA:25nCCCCCCCCCNCCSCNNCOCNCCOCC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s3;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N4O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.13984 |
Area: | 553.817 |
Solvation: | -4.70559 |
Coulombic: | -49.5783 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 356.443 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.54 |
LogP (Chemaxon): | 2.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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