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Chemical ID: 6003262
Chemical ID:
6003262
Name [?]:
N-(2-dimethylaminoethyl)-3,3-dimethyl-N-[(4-methylthiazol-2-yl)carbamoylmethyl]butanamide
SMILES [?]:
Cc1csc(n1)NC(=O)CN(CCN(C)C)C(=O)CC(C)(C)C
InChi [?]:
InChI=1/C16H28N4O2S/c1-12-11-23-15(17-12)18-13(21)10-20(8-7-19(5)6)14(22)9-16(2,3)4/h11H,7-10H2,1-6H3,(H,17,18,21)
InChi Info:
AuxInfo=1/1/N:1,21,22,23,15,16,13,12,19,10,3,2,8,17,5,20,6,7,14,11,9,18,4/E:(2,3,4)(5,6)/rA:23nCCCSCNNCOCNCCNCCCOCCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s14;s11;d17;s17;s19;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H28N4O2S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0893 |
Area: | 566.956 |
Solvation: | -4.08455 |
Coulombic: | -45.8979 |
Bond Count [?]
All: | 23 |
Single: | 19 |
Double: | 4 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 340.485 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.5 |
LogP (Chemaxon): | 1.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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