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Chemical ID: 4275434
Chemical ID:
4275434
Name [?]:
N-benzothiazol-2-yladamantane-1-carboxamide
SMILES [?]:
c1ccc2c(c1)nc(s2)NC(=O)C34CC5CC(C3)CC(C5)C4
InChi [?]:
InChI=1/C18H20N2OS/c21-16(20-17-19-14-3-1-2-4-15(14)22-17)18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,16,19,21,18,14,22,17,15,20,5,4,11,8,13,7,10,12,9/E:(5,6,7)(8,9,10)(11,12,13)/rA:22nCCCCCCNCSNCOCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;d11;s11;s13;s14;s15;s16;s13s17;s17;s19;s15s20;s13s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N2OS |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.98247 |
Area: | 472.532 |
Solvation: | -1.83082 |
Coulombic: | -28.6653 |
Bond Count [?]
All: | 26 |
Single: | 21 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 312.43 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.14 |
LogP (Chemaxon): | 4.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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