Chemical ID: 5984049

CCC(C)C(C(=O)Nc1nnc(s1)c2cccc(c2)OC)NC(=O)c3ccccc3OC
Chemical ID:
5984049
Name [?]:
2-methoxy-N-[1-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2-methyl-butyl]-benzamide
SMILES [?]:
CCC(C)C(C(=O)Nc1nnc(s1)c2cccc(c2)OC)NC(=O)c3ccccc3OC
InChi [?]:
InChI=1/C23H26N4O4S/c1-5-14(2)19(24-20(28)17-11-6-7-12-18(17)31-4)21(29)25-23-27-26-22(32-23)15-9-8-10-16(13-15)30-3/h6-14,19H,5H2,1-4H3,(H,24,28)(H,25,27,29)
InChi Info:
AuxInfo=1/1/N:1,4,21,32,2,27,28,16,15,17,26,29,19,3,14,18,25,30,5,23,6,12,9,22,8,11,10,24,7,20,31,13/rA:32cCCCCCCONCNNCSCCCCCCOCNCOCCCCCCOC/rB:s1;s2;s3;s3;s5;d6;s6;s8;d9;s10;d11;s9s12;s12;s14;d15;s16;d17;d14s18;s18;s20;s5;s22;d23;s23;s25;d26;s27;d28;d25s29;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H26N4O4S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:2
ZAP Information [?]
Total:10.9618
Area:702.333
Solvation:-6.59652
Coulombic:-62.436
Bond Count [?]
All:34
Single:24
Double:10
Rotors:11
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:454.543
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.93
LogP (Chemaxon):3.54

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Descriptor Annotations

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