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Chemical ID: 6003280
Chemical ID:
6003280
Name [?]:
N-(2-dimethylaminoethyl)-3-methoxy-N-[(4-methylthiazol-2-yl)carbamoylmethyl]benzamide
SMILES [?]:
Cc1csc(n1)NC(=O)CN(CCN(C)C)C(=O)c2cccc(c2)OC
InChi [?]:
InChI=1/C18H24N4O3S/c1-13-12-26-18(19-13)20-16(23)11-22(9-8-21(2)3)17(24)14-6-5-7-15(10-14)25-4/h5-7,10,12H,8-9,11H2,1-4H3,(H,19,20,23)
InChi Info:
AuxInfo=1/1/N:1,15,16,26,21,20,22,13,12,24,10,3,2,19,23,8,17,5,6,7,14,11,9,18,25,4/E:(2,3)/rA:26nCCCSCNNCOCNCCNCCCOCCCCCCOC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s14;s11;d17;s17;s19;d20;s21;d22;d19s23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H24N4O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.43077 |
Area: | 605.226 |
Solvation: | -5.69989 |
Coulombic: | -53.869 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 376.474 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.2 |
LogP (Chemaxon): | 1.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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