Chemical ID: 5983954

CCC(C)C(C(=O)Nc1nnc(s1)c2ccc(cc2)OC)NC(=O)c3cc(cc(c3)OC)OC
Chemical ID:
5983954
Name [?]:
3,5-dimethoxy-N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2-methyl-butyl]-benzamide
SMILES [?]:
CCC(C)C(C(=O)Nc1nnc(s1)c2ccc(cc2)OC)NC(=O)c3cc(cc(c3)OC)OC
InChi [?]:
InChI=1/C24H28N4O5S/c1-6-14(2)20(25-21(29)16-11-18(32-4)13-19(12-16)33-5)22(30)26-24-28-27-23(34-24)15-7-9-17(31-3)10-8-15/h7-14,20H,6H2,1-5H3,(H,25,29)(H,26,28,30)
InChi Info:
AuxInfo=1/1/N:1,4,21,32,34,2,15,19,16,18,30,26,28,3,14,25,17,29,27,5,23,6,12,9,22,8,11,10,24,7,20,31,33,13/E:(4,5)(7,8)(9,10)(11,12)(18,19)(32,33)/rA:34cCCCCCCONCNNCSCCCCCCOCNCOCCCCCCOCOC/rB:s1;s2;s3;s3;s5;d6;s6;s8;d9;s10;d11;s9s12;s12;s14;d15;s16;d17;d14s18;s17;s20;s5;s22;d23;s23;s25;d26;s27;d28;d25s29;s29;s31;s27;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H28N4O5S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:2
ZAP Information [?]
Total:11.1751
Area:739.216
Solvation:-7.30531
Coulombic:-68.7988
Bond Count [?]
All:36
Single:26
Double:10
Rotors:12
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:484.569
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:4.85
LogP (Chemaxon):3.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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