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Chemical ID: 6001150
Chemical ID:
6001150
Name [?]:
N-[(4,5-dimethylthiazol-2-yl)carbamoylmethyl]-N-isopropyl-butanamide
SMILES [?]:
CCCC(=O)N(CC(=O)Nc1nc(c(s1)C)C)C(C)C
InChi [?]:
InChI=1/C14H23N3O2S/c1-6-7-13(19)17(9(2)3)8-12(18)16-14-15-10(4)11(5)20-14/h9H,6-8H2,1-5H3,(H,15,16,18)
InChi Info:
AuxInfo=1/1/N:1,19,20,17,16,2,3,7,18,13,14,8,4,11,12,10,6,9,5,15/E:(2,3)/rA:20nCCCCONCCONCNCCSCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s14;s13;s6;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H23N3O2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.92397 |
Area: | 513.159 |
Solvation: | -3.905 |
Coulombic: | -40.1344 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 297.417 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.27 |
LogP (Chemaxon): | 1.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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