Chemical ID: 7299014

CC(C)CCNC(=O)CSc1nc(cs1)c2ccccc2
Chemical ID:
7299014
Name [?]:
N-isopentyl-2-(4-phenylthiazol-2-yl)sulfanyl-acetamide
SMILES [?]:
CC(C)CCNC(=O)CSc1nc(cs1)c2ccccc2
InChi [?]:
InChI=1/C16H20N2OS2/c1-12(2)8-9-17-15(19)11-21-16-18-14(10-20-16)13-6-4-3-5-7-13/h3-7,10,12H,8-9,11H2,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,3,19,18,20,17,21,4,5,14,9,2,16,13,7,11,6,12,8,15,10/E:(1,2)(4,5)(6,7)/rA:21nCCCCCNCOCSCNCCSCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;s10;d11;s12;d13;s11s14;s13;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N2OS2
All Atoms:41
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:11.1553
Area:553.733
Solvation:-2.68803
Coulombic:-28.9774
Bond Count [?]
All:22
Single:16
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:320.475
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.0
LogP (Chemaxon):4.18

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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