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Chemical ID: 3928695
Chemical ID:
3928695
Name [?]:
N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-cyclohexanecarboxamide
SMILES [?]:
COCCN(c1nnc(s1)c2ccc(cc2)OC)C(=O)C3CCCCC3
InChi [?]:
InChI=1/C19H25N3O3S/c1-24-13-12-22(18(23)15-6-4-3-5-7-15)19-21-20-17(26-19)14-8-10-16(25-2)11-9-14/h8-11,15H,3-7,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,24,23,25,22,26,12,16,13,15,4,3,11,21,14,9,19,6,8,7,5,20,2,17,10/E:(4,5)(6,7)(8,9)(10,11)/rA:26nCOCCNCNNCSCCCCCCOCCOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s6s9;s9;s11;d12;s13;d14;d11s15;s14;s17;s5;d19;s19;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25N3O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.48888 |
Area: | 587.186 |
Solvation: | -5.19079 |
Coulombic: | -36.7576 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 375.486 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.24 |
LogP (Chemaxon): | 2.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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