Chemical ID: 3928789

CCCCN(c1nnc(s1)c2cc(cc(c2)OC)OC)C(=O)COc3ccccc3
Chemical ID:
3928789
Name [?]:
N-butyl-N-[5-(3,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-phenoxy-acetamide
SMILES [?]:
CCCCN(c1nnc(s1)c2cc(cc(c2)OC)OC)C(=O)COc3ccccc3
InChi [?]:
InChI=1/C22H25N3O4S/c1-4-5-11-25(20(26)15-29-17-9-7-6-8-10-17)22-24-23-21(30-22)16-12-18(27-2)14-19(13-16)28-3/h6-10,12-14H,4-5,11,15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,20,2,3,28,27,29,26,30,4,16,12,14,23,11,25,15,13,21,9,6,8,7,5,22,17,19,24,10/E:(2,3)(7,8)(9,10)(12,13)(18,19)(27,28)/rA:30nCCCCNCNNCSCCCCCCOCOCCOCOCCCCCC/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;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H25N3O4S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.1845
Area:677.303
Solvation:-6.74802
Coulombic:-43.9851
Bond Count [?]
All:32
Single:23
Double:9
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:427.518
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.18
LogP (Chemaxon):3.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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