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Chemical ID: 6007079
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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