Chemical ID: 4275434

c1ccc2c(c1)nc(s2)NC(=O)C34CC5CC(C3)CC(C5)C4
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

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Descriptor Annotations

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