Chemical ID: 6178578

c1ccc2c(c1)nc(s2)NC(=O)CC34CC5CC(C3)CC(C5)C4
Chemical ID:
6178578
Name [?]:
2-(1-adamantyl)-N-benzothiazol-2-yl-acetamide
SMILES [?]:
c1ccc2c(c1)nc(s2)NC(=O)CC34CC5CC(C3)CC(C5)C4
InChi [?]:
InChI=1/C19H22N2OS/c22-17(21-18-20-15-3-1-2-4-16(15)23-18)11-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,17,20,22,19,15,23,13,18,16,21,5,4,11,8,14,7,10,12,9/E:(5,6,7)(8,9,10)(12,13,14)/rA:23nCCCCCCNCSNCOCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;d11;s11;s13;s14;s15;s16;s17;s14s18;s18;s20;s16s21;s14s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22N2OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.3181
Area:490.56
Solvation:-1.94591
Coulombic:-27.9409
Bond Count [?]
All:27
Single:22
Double:5
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:326.457
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.33
LogP (Chemaxon):4.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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