Chemical ID: 3936582

C#CC(=O)N(c1ccccc1)C(c2cccs2)C(=O)NC3CCCCC3
Chemical ID:
3936582
Name [?]:
N-[cyclohexylcarbamoyl-(2-thienyl)methyl]-N-phenyl-prop-2-ynamide
SMILES [?]:
C#CC(=O)N(c1ccccc1)C(c2cccs2)C(=O)NC3CCCCC3
InChi [?]:
InChI=1/C21H22N2O2S/c1-2-19(24)23(17-12-7-4-8-13-17)20(18-14-9-15-26-18)21(25)22-16-10-5-3-6-11-16/h1,4,7-9,12-16,20H,3,5-6,10-11H2,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,2,24,9,23,25,8,10,15,22,26,7,11,14,16,21,6,13,3,12,18,20,5,4,19,17/E:(5,6)(7,8)(10,11)(12,13)/rA:26cCCCONCCCCCCCCCCCSCONCCCCCC/rB:t1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s5;s12;d13;s14;d15;s13s16;s12;d18;s18;s20;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.6789
Area:558.252
Solvation:-3.2774
Coulombic:-44.401
Bond Count [?]
All:28
Single:20
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:366.478
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.33
LogP (Chemaxon):3.45

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