Chemical ID: 5176532

CC(C)c1nnc(s1)NC(=O)CC2CC3CCC2C3
Chemical ID:
5176532
Name [?]:
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-norbornan-2-yl-acetamide
SMILES [?]:
CC(C)c1nnc(s1)NC(=O)CC2CC3CCC2C3
InChi [?]:
InChI=1/C14H21N3OS/c1-8(2)13-16-17-14(19-13)15-12(18)7-11-6-9-3-4-10(11)5-9/h8-11H,3-7H2,1-2H3,(H,15,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,16,17,19,14,12,2,15,18,13,10,4,7,9,5,6,11,8/E:(1,2)/rA:19cCCCCNNCSNCOCCCCCCCC/rB:s1;s2;s2;d4;s5;d6;s4s7;s7;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21N3OS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:3
ZAP Information [?]
Total:9.29725
Area:474.848
Solvation:-2.57395
Coulombic:-24.5632
Bond Count [?]
All:21
Single:18
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:279.402
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.14
LogP (Chemaxon):2.57

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Descriptor Annotations

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