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Chemical ID: 4543482
Chemical ID:
4543482
Name [?]:
N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]adamantane-1-carboxamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)C23CC4CC(C2)CC(C4)C3)c5ccc(cc5)OC
InChi [?]:
InChI=1/C22H26N2O2S/c1-13-19(17-3-5-18(26-2)6-4-17)23-21(27-13)24-20(25)22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,14-16H,7-12H2,1-2H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,27,21,25,22,24,13,16,18,15,11,19,2,14,12,17,20,23,3,8,5,10,4,7,9,26,6/E:(3,4)(5,6)(7,8,9)(10,11,12)(14,15,16)/rA:27nCCCNCSNCOCCCCCCCCCCCCCCCCOC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;s13;s10s14;s14;s16;s12s17;s10s17;s3;s20;d21;s22;d23;d20s24;s23;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H26N2O2S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9194 |
Area: | 572.682 |
Solvation: | -3.39765 |
Coulombic: | -35.2124 |
Bond Count [?]
All: | 31 |
Single: | 25 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 382.52 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.84 |
LogP (Chemaxon): | 4.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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