Chemical ID: 5940713

CCCNC(=O)c1csc(n1)CN(CCC)C(=O)CC(C)CC(C)(C)C
Chemical ID:
5940713
Name [?]:
N-propyl-2-[(propyl-(3,5,5-trimethylhexanoyl)amino)methyl]thiazole-4-carboxamide
SMILES [?]:
CCCNC(=O)c1csc(n1)CN(CCC)C(=O)CC(C)CC(C)(C)C
InChi [?]:
InChI=1/C20H35N3O2S/c1-7-9-21-19(25)16-14-26-17(22-16)13-23(10-8-2)18(24)11-15(3)12-20(4,5)6/h14-15H,7-13H2,1-6H3,(H,21,25)
InChi Info:
AuxInfo=1/1/N:1,16,21,24,25,26,2,15,3,14,19,22,12,8,20,7,10,17,5,23,4,11,13,18,6,9/E:(4,5,6)/rA:26cCCCNCOCCSCNCNCCCCOCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s9;s7d10;s10;s12;s13;s14;s15;s13;d17;s17;s19;s20;s20;s22;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H35N3O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:13.7114
Area:655.037
Solvation:-2.66448
Coulombic:-46.2583
Bond Count [?]
All:26
Single:22
Double:4
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:381.577
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.64
LogP (Chemaxon):3.68

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