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Chemical ID: 3946266
Chemical ID:
3946266
Name [?]:
N-(4-acetylphenyl)-N-(1,1-dimethylpropylcarbamoylmethyl)thiadiazole-4-carboxamide
SMILES [?]:
CCC(C)(C)NC(=O)CN(c1ccc(cc1)C(=O)C)C(=O)c2csnn2
InChi [?]:
InChI=1/C18H22N4O3S/c1-5-18(3,4)19-16(24)10-22(17(25)15-11-26-21-20-15)14-8-6-13(7-9-14)12(2)23/h6-9,11H,5,10H2,1-4H3,(H,19,24)
InChi Info:
AuxInfo=1/1/N:1,19,4,5,2,13,15,12,16,9,23,17,14,11,22,7,20,3,6,26,25,10,18,8,21,24/E:(3,4)(6,7)(8,9)/rA:26nCCCCCNCOCNCCCCCCCOCCOCCSNN/rB:s1;s2;s3;s3;s3;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;s10;d20;s20;d22;s23;s24;s22d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22N4O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.94332 |
Area: | 567.096 |
Solvation: | -4.23408 |
Coulombic: | -47.2158 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 374.458 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.59 |
LogP (Chemaxon): | 0.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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