Chemical ID: 3946440

COc1ccc(cc1)CNC(=O)CN(Cc2ccccc2OC)C(=O)c3csnn3
Chemical ID:
3946440
Name [?]:
N-[(2-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methylcarbamoylmethyl]thiadiazole-4-carboxamide
SMILES [?]:
COc1ccc(cc1)CNC(=O)CN(Cc2ccccc2OC)C(=O)c3csnn3
InChi [?]:
InChI=1/C21H22N4O4S/c1-28-17-9-7-15(8-10-17)11-22-20(26)13-25(21(27)18-14-30-24-23-18)12-16-5-3-4-6-19(16)29-2/h3-10,14H,11-13H2,1-2H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,23,18,19,17,20,5,7,4,8,9,15,13,27,6,16,3,26,21,11,24,10,30,29,14,12,25,2,22,28/E:(7,8)(9,10)/rA:30nCOCCCCCCCNCOCNCCCCCCCOCCOCCSNN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;s15;s16;d17;s18;d19;d16s20;s21;s22;s14;d24;s24;d26;s27;s28;s26d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N4O4S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.48239
Area:637.892
Solvation:-6.46492
Coulombic:-54.3145
Bond Count [?]
All:32
Single:22
Double:10
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:426.49
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.78
LogP (Chemaxon):1.56

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Descriptor Annotations

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