Chemical ID: 4543482

Cc1c(nc(s1)NC(=O)C23CC4CC(C2)CC(C4)C3)c5ccc(cc5)OC
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue