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Chemical ID: 5940052
Chemical ID:
5940052
Name [?]:
2,2-dimethyl-N-[3-[2-(o-tolylamino)thiazol-4-yl]phenyl]-propanamide
SMILES [?]:
Cc1ccccc1Nc2nc(cs2)c3cccc(c3)NC(=O)C(C)(C)C
InChi [?]:
InChI=1/C21H23N3OS/c1-14-8-5-6-11-17(14)23-20-24-18(13-26-20)15-9-7-10-16(12-15)22-19(25)21(2,3)4/h5-13H,1-4H3,(H,22,25)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,24,25,26,4,5,16,3,15,17,6,19,12,2,14,18,7,11,21,9,23,20,8,10,22,13/E:(2,3,4)/rA:26nCCCCCCCNCNCCSCCCCCCNCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d11;s9s12;s11;s14;d15;s16;d17;d14s18;s18;s20;d21;s21;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H23N3OS |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9073 |
Area: | 589.753 |
Solvation: | -2.83652 |
Coulombic: | -39.8268 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 365.493 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.3 |
LogP (Chemaxon): | 6.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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