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Chemical ID: 5940713
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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