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Chemical ID: 6000956
Chemical ID:
6000956
Name [?]:
3-methyl-N-[(4-methylthiazol-2-yl)carbamoylmethyl]-N-propyl-butanamide
SMILES [?]:
CCCN(CC(=O)Nc1nc(cs1)C)C(=O)CC(C)C
InChi [?]:
InChI=1/C14H23N3O2S/c1-5-6-17(13(19)7-10(2)3)8-12(18)16-14-15-11(4)9-20-14/h9-10H,5-8H2,1-4H3,(H,15,16,18)
InChi Info:
AuxInfo=1/1/N:1,19,20,14,2,3,17,5,12,18,11,6,15,9,10,8,4,7,16,13/E:(2,3)/rA:20nCCCNCCONCNCCSCCOCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;s9s12;s11;s4;d15;s15;s17;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H23N3O2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.40043 |
Area: | 519.224 |
Solvation: | -3.58017 |
Coulombic: | -41.2447 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 297.417 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.82 |
LogP (Chemaxon): | 2.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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