Chemical ID: 6004352

Cc1cccc(c1)c2nnc(s2)NC(=O)C(C)NC(=O)CC(C)CC(C)(C)C
Chemical ID:
6004352
Name [?]:
3,5,5-trimethyl-N-[1-[[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]carbamoyl]ethyl]hexanamide
SMILES [?]:
Cc1cccc(c1)c2nnc(s2)NC(=O)C(C)NC(=O)CC(C)CC(C)(C)C
InChi [?]:
InChI=1/C21H30N4O2S/c1-13-8-7-9-16(10-13)19-24-25-20(28-19)23-18(27)15(3)22-17(26)11-14(2)12-21(4,5)6/h7-10,14-15H,11-12H2,1-6H3,(H,22,26)(H,23,25,27)
InChi Info:
AuxInfo=1/1/N:1,23,17,26,27,28,4,3,5,7,21,24,2,22,16,6,19,14,8,11,25,18,13,9,10,20,15,12/E:(4,5,6)/rA:28cCCCCCCCCNNCSNCOCCNCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;s16;s18;d19;s19;s21;s22;s22;s24;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H30N4O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:2
ZAP Information [?]
Total:13.1603
Area:664.473
Solvation:-3.45158
Coulombic:-48.0637
Bond Count [?]
All:29
Single:22
Double:7
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:402.555
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:6.18
LogP (Chemaxon):4.43

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Descriptor Annotations

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