Chemical ID: 5939905

CCN(CC)c1nc(cs1)c2ccc(cc2)NC(=O)C34CC5CC(C3)CC(C5)C4
Chemical ID:
5939905
Name [?]:
N-[4-(2-diethylaminothiazol-4-yl)phenyl]adamantane-1-carboxamide
SMILES [?]:
CCN(CC)c1nc(cs1)c2ccc(cc2)NC(=O)C34CC5CC(C3)CC(C5)C4
InChi [?]:
InChI=1/C24H31N3OS/c1-3-27(4-2)23-26-21(15-29-23)19-5-7-20(8-6-19)25-22(28)24-12-16-9-17(13-24)11-18(10-16)14-24/h5-8,15-18H,3-4,9-14H2,1-2H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,12,16,13,15,23,26,28,25,21,29,9,24,22,27,11,14,8,18,6,20,17,7,3,19,10/E:(1,2)(3,4)(5,6)(7,8)(9,10,11)(12,13,14)(16,17,18)/rA:29nCCNCCCNCCSCCCCCCNCOCCCCCCCCCC/rB:s1;s2;s3;s4;s3;d6;s7;d8;s6s9;s8;s11;d12;s13;d14;d11s15;s14;s17;d18;s18;s20;s21;s22;s23;s20s24;s24;s26;s22s27;s20s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H31N3OS
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.1819
Area:625.556
Solvation:-2.457
Coulombic:-35.3589
Bond Count [?]
All:33
Single:27
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:409.589
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.12
LogP (Chemaxon):6.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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