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Chemical ID: 6001368
Chemical ID:
6001368
Name [?]:
N-butyl-N-[(5-methylthiazol-2-yl)carbamoylmethyl]cyclopropanecarboxamide
SMILES [?]:
CCCCN(CC(=O)Nc1ncc(s1)C)C(=O)C2CC2
InChi [?]:
InChI=1/C14H21N3O2S/c1-3-4-7-17(13(19)11-5-6-11)9-12(18)16-14-15-8-10(2)20-14/h8,11H,3-7,9H2,1-2H3,(H,15,16,18)
InChi Info:
AuxInfo=1/1/N:1,15,2,3,19,20,4,12,6,13,18,7,16,10,11,9,5,8,17,14/E:(5,6)/rA:20nCCCCNCCONCNCCSCCOCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s13;s5;d16;s16;s18;s18s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21N3O2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.97008 |
Area: | 521.392 |
Solvation: | -4.06473 |
Coulombic: | -40.663 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 295.402 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.57 |
LogP (Chemaxon): | 1.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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