Chemical ID: 5490825

c1ccc2c(c1)cccc2c3csc(n3)NC(=O)C45CC6CC(C4)CC(C6)C5
Chemical ID:
5490825
Name [?]:
N-[4-(1-naphthyl)thiazol-2-yl]adamantane-1-carboxamide
SMILES [?]:
c1ccc2c(c1)cccc2c3csc(n3)NC(=O)C45CC6CC(C4)CC(C6)C5
InChi [?]:
InChI=1/C24H24N2OS/c27-22(24-11-15-8-16(12-24)10-17(9-15)13-24)26-23-25-21(14-28-23)20-7-3-5-18-4-1-2-6-19(18)20/h1-7,14-17H,8-13H2,(H,25,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,7,3,9,22,25,27,24,20,28,12,23,21,26,5,4,10,11,17,14,19,15,16,18,13/E:(8,9,10)(11,12,13)(15,16,17)/rA:28nCCCCCCCCCCCCSCNNCOCCCCCCCCCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;s20;s21;s22;s19s23;s23;s25;s21s26;s19s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H24N2OS
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.9887
Area:570.367
Solvation:-2.27046
Coulombic:-29.7445
Bond Count [?]
All:33
Single:25
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:388.526
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.34
LogP (Chemaxon):6.24

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Descriptor Annotations

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