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Chemical ID: 3928783
Chemical ID:
3928783
Name [?]:
N-[5-(3,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)cyclobutanecarboxamide
SMILES [?]:
COCCN(c1nnc(s1)c2cc(cc(c2)OC)OC)C(=O)C3CCC3
InChi [?]:
InChI=1/C18H23N3O4S/c1-23-8-7-21(17(22)12-5-4-6-12)18-20-19-16(26-18)13-9-14(24-2)11-15(10-13)25-3/h9-12H,4-8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,20,25,24,26,4,3,16,12,14,23,11,15,13,9,21,6,8,7,5,22,2,17,19,10/E:(2,3)(5,6)(9,10)(14,15)(24,25)/rA:26nCOCCNCNNCSCCCCCCOCOCCOCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s6s9;s9;s11;d12;s13;d14;d11s15;s15;s17;s13;s19;s5;d21;s21;s23;s24;s23s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23N3O4S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.0868 |
Area: | 588.173 |
Solvation: | -6.61752 |
Coulombic: | -41.8016 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 377.459 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.02 |
LogP (Chemaxon): | 1.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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