Chemical ID: 3928695

COCCN(c1nnc(s1)c2ccc(cc2)OC)C(=O)C3CCCCC3
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

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Descriptor Annotations

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