Chemical ID: 5759645

CC(C)NC(=O)c1cc2c(s1)CCCC2
Chemical ID:
5759645
Name [?]:
N-isopropyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide
SMILES [?]:
CC(C)NC(=O)c1cc2c(s1)CCCC2
InChi [?]:
InChI=1/C12H17NOS/c1-8(2)13-12(14)11-7-9-5-3-4-6-10(9)15-11/h7-8H,3-6H2,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,14,13,15,12,8,2,9,10,7,5,4,6,11/E:(1,2)/rA:15nCCCNCOCCCCSCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;d9;s7s10;s10;s12;s13;s9s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17NOS
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.99301
Area:405.961
Solvation:-1.15602
Coulombic:-23.4847
Bond Count [?]
All:16
Single:13
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:223.336
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.71
LogP (Chemaxon):1.94

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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