Chemical ID: 5984013

CCC(C)C(C(=O)Nc1nnc(s1)c2cccc(c2)OC)NC(=O)C3CCCCC3
Chemical ID:
5984013
Name [?]:
N-[1-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2-methyl-butyl]cyclohexanecarboxamide
SMILES [?]:
CCC(C)C(C(=O)Nc1nnc(s1)c2cccc(c2)OC)NC(=O)C3CCCCC3
InChi [?]:
InChI=1/C22H30N4O3S/c1-4-14(2)18(23-19(27)15-9-6-5-7-10-15)20(28)24-22-26-25-21(30-22)16-11-8-12-17(13-16)29-3/h8,11-15,18H,4-7,9-10H2,1-3H3,(H,23,27)(H,24,26,28)
InChi Info:
AuxInfo=1/1/N:1,4,21,2,28,27,29,16,26,30,15,17,19,3,25,14,18,5,23,6,12,9,22,8,11,10,24,7,20,13/E:(6,7)(9,10)/rA:30cCCCCCCONCNNCSCCCCCCOCNCOCCCCCC/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;s26;s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H30N4O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:2
ZAP Information [?]
Total:12.1795
Area:670.671
Solvation:-4.58725
Coulombic:-55.0913
Bond Count [?]
All:32
Single:25
Double:7
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:430.565
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.21
LogP (Chemaxon):3.94

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Descriptor Annotations

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