Chemical ID: 4485494

CC12CC3CC(C1)(CC(C3)(C2)C(=O)Nc4nc5ccccc5s4)C
Chemical ID:
4485494
Name [?]:
N-benzothiazol-2-yl-3,5-dimethyl-adamantane-1-carboxamide
SMILES [?]:
CC12CC3CC(C1)(CC(C3)(C2)C(=O)Nc4nc5ccccc5s4)C
InChi [?]:
InChI=1/C20H24N2OS/c1-18-7-13-8-19(2,10-18)12-20(9-13,11-18)16(23)22-17-21-14-5-3-4-6-15(14)24-17/h3-6,13H,7-12H2,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,19,20,18,21,3,5,10,7,11,8,4,17,22,12,15,2,6,9,16,14,13,23/E:(1,2)(7,8)(11,12)(18,19)/rA:24cCCCCCCCCCCCCONCNCCCCCCSC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s4s9;s2s9;s9;d12;s12;s14;d15;s16;s17;d18;s19;d20;d17s21;s15s22;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H24N2OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:10.5677
Area:511.582
Solvation:-2.2218
Coulombic:-28.469
Bond Count [?]
All:28
Single:23
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:340.483
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.36
LogP (Chemaxon):5.8

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Descriptor Annotations

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