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Chemical ID: 5914045
Chemical ID:
5914045
Name [?]:
N-(2-dimethylaminoethyl)-N-[(4,5-dimethylthiazol-2-yl)carbamoylmethyl]-3-methyl-benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)N(CCN(C)C)CC(=O)Nc2nc(c(s2)C)C
InChi [?]:
InChI=1/C19H26N4O2S/c1-13-7-6-8-16(11-13)18(25)23(10-9-22(4)5)12-17(24)21-19-20-14(2)15(3)26-19/h6-8,11H,9-10,12H2,1-5H3,(H,20,21,24)
InChi Info:
AuxInfo=1/1/N:1,26,25,14,15,4,3,5,12,11,7,16,2,22,23,6,17,8,20,21,19,13,10,18,9,24/E:(4,5)/rA:26nCCCCCCCCONCCNCCCCONCNCCSCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;s12;s13;s13;s10;s16;d17;s17;s19;d20;s21;d22;s20s23;s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H26N4O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6537 |
Area: | 612.036 |
Solvation: | -4.64724 |
Coulombic: | -47.1962 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 374.501 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.57 |
LogP (Chemaxon): | 1.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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