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Chemical ID: 6010470
Chemical ID:
6010470
Name [?]:
N-[1-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]ethyl]hexanamide
SMILES [?]:
CCCCCC(=O)NC(C)C(=O)Nc1nnc(s1)c2cccc(c2)OC
InChi [?]:
InChI=1/C18H24N4O3S/c1-4-5-6-10-15(23)19-12(2)16(24)20-18-22-21-17(26-18)13-8-7-9-14(11-13)25-3/h7-9,11-12H,4-6,10H2,1-3H3,(H,19,23)(H,20,22,24)
InChi Info:
AuxInfo=1/1/N:1,10,26,2,3,4,21,20,22,5,24,9,19,23,6,11,17,14,8,13,16,15,7,12,25,18/rA:26cCCCCCCONCCCONCNNCSCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s9;d11;s11;s13;d14;s15;d16;s14s17;s17;s19;d20;s21;d22;d19s23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H24N4O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.9927 |
Area: | 638.107 |
Solvation: | -4.95996 |
Coulombic: | -53.5233 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 376.474 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.04 |
LogP (Chemaxon): | 2.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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