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Chemical ID: 6001135
Chemical ID:
6001135
Name [?]:
N-[(4,5-dimethylthiazol-2-yl)carbamoylmethyl]-N-isobutyl-2-methyl-benzamide
SMILES [?]:
Cc1ccccc1C(=O)N(CC(C)C)CC(=O)Nc2nc(c(s2)C)C
InChi [?]:
InChI=1/C19H25N3O2S/c1-12(2)10-22(18(24)16-9-7-6-8-13(16)3)11-17(23)21-19-20-14(4)15(5)25-19/h6-9,12H,10-11H2,1-5H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:13,14,1,25,24,4,5,3,6,11,15,12,2,21,22,7,16,8,19,20,18,10,17,9,23/E:(1,2)/rA:25nCCCCCCCCONCCCCCCONCNCCSCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;s12;s12;s10;s15;d16;s16;s18;d19;s20;d21;s19s22;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25N3O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3543 |
Area: | 578.397 |
Solvation: | -4.10565 |
Coulombic: | -43.175 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 359.487 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.8 |
LogP (Chemaxon): | 3.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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