Chemical ID: 6007079

CCCCC(CC)C(=O)N(CCC)CC(=O)Nc1ncc(s1)C
Chemical ID:
6007079
Name [?]:
2-ethyl-N-[(5-methylthiazol-2-yl)carbamoylmethyl]-N-propyl-hexanamide
SMILES [?]:
CCCCC(CC)C(=O)N(CCC)CC(=O)Nc1ncc(s1)C
InChi [?]:
InChI=1/C17H29N3O2S/c1-5-8-9-14(7-3)16(22)20(10-6-2)12-15(21)19-17-18-11-13(4)23-17/h11,14H,5-10,12H2,1-4H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,13,7,23,2,12,6,3,4,11,20,14,21,5,15,8,18,19,17,10,16,9,22/rA:23cCCCCCCCCONCCCCCONCNCCSC/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;s12;s10;s14;d15;s15;s17;d18;s19;d20;s18s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H29N3O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:10.6892
Area:591.219
Solvation:-4.09129
Coulombic:-41.7468
Bond Count [?]
All:23
Single:19
Double:4
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:339.497
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.62
LogP (Chemaxon):3.39

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