Chemical ID: 7265799

CC(C)C(C)(C#N)NC(=O)CSc1ccc2ccccc2c1
Chemical ID:
7265799
Name [?]:
N-(1-cyano-1,2-dimethyl-propyl)-2-(2-naphthylsulfanyl)acetamide
SMILES [?]:
CC(C)C(C)(C#N)NC(=O)CSc1ccc2ccccc2c1
InChi [?]:
InChI=1/C18H20N2OS/c1-13(2)18(3,12-19)20-17(21)11-22-16-9-8-14-6-4-5-7-15(14)10-16/h4-10,13H,11H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,5,18,19,17,20,15,14,22,11,6,2,16,21,13,9,4,7,8,10,12/E:(1,2)/rA:22cCCCCCCNNCOCSCCCCCCCCCC/rB:s1;s2;s2;s4;s4;t6;s4;s8;d9;s9;s11;s12;s13;d14;s15;s16;d17;s18;d19;d16s20;d13s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20N2OS
All Atoms:42
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:9.83871
Area:529.338
Solvation:-3.39475
Coulombic:-26.3698
Bond Count [?]
All:23
Single:16
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:312.43
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.72
LogP (Chemaxon):3.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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