Chemical ID: 5983836

CCC(C)C(C(=O)Nc1nnc(s1)c2cccc(c2)C)NC(=O)c3ccccc3OC
Chemical ID:
5983836
Name [?]:
2-methoxy-N-[2-methyl-1-[[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]carbamoyl]butyl]-benzamide
SMILES [?]:
CCC(C)C(C(=O)Nc1nnc(s1)c2cccc(c2)C)NC(=O)c3ccccc3OC
InChi [?]:
InChI=1/C23H26N4O3S/c1-5-15(3)19(24-20(28)17-11-6-7-12-18(17)30-4)21(29)25-23-27-26-22(31-23)16-10-8-9-14(2)13-16/h6-13,15,19H,5H2,1-4H3,(H,24,28)(H,25,27,29)
InChi Info:
AuxInfo=1/1/N:1,20,4,31,2,26,27,16,17,15,25,28,19,18,3,14,24,29,5,22,6,12,9,21,8,11,10,23,7,30,13/rA:31cCCCCCCONCNNCSCCCCCCCNCOCCCCCCOC/rB:s1;s2;s3;s3;s5;d6;s6;s8;d9;s10;d11;s9s12;s12;s14;d15;s16;d17;d14s18;s18;s5;s21;d22;s22;s24;d25;s26;d27;d24s28;s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H26N4O3S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:2
ZAP Information [?]
Total:11.863
Area:678.184
Solvation:-5.09163
Coulombic:-56.2287
Bond Count [?]
All:33
Single:23
Double:10
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:438.544
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.45
LogP (Chemaxon):4.26

Name Annotations

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Descriptor Annotations

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