Chemical ID: 7180277

CC(C)c1ccccc1NC(=O)CCC(=O)N=c2[nH]nc(s2)C(C)C
Chemical ID:
7180277
Name [?]:
N-(2-isopropylphenyl)-N'-(5-isopropyl-3H-1,3,4-thiadiazol-2-ylidene)-butanediamide
SMILES [?]:
CC(C)c1ccccc1NC(=O)CCC(=O)N=c2[nH]nc(s2)C(C)C
InChi [?]:
InChI=1/C18H24N4O2S/c1-11(2)13-7-5-6-8-14(13)19-15(23)9-10-16(24)20-18-22-21-17(25-18)12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H,19,23)(H,20,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,24,25,6,7,5,8,13,14,2,23,4,9,11,15,21,18,10,17,20,19,12,16,22/E:(1,2)(3,4)/rA:25nCCCCCCCCCNCOCCCONCNNCSCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;d15;s15;w17;s18;s19;d20;s18s21;s21;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H24N4O2S
All Atoms:49
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:12.0389
Area:601.679
Solvation:-3.00307
Coulombic:-46.2092
Bond Count [?]
All:26
Single:19
Double:7
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:360.475
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.09
LogP (Chemaxon):3.54

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