Chemical ID: 7062131

CCCNC(=O)c1csc2c1CCCC2
Chemical ID:
7062131
Name [?]:
N-propyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
SMILES [?]:
CCCNC(=O)c1csc2c1CCCC2
InChi [?]:
InChI=1/C12H17NOS/c1-2-7-13-12(14)10-8-15-11-6-4-3-5-9(10)11/h8H,2-7H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,13,14,12,15,3,8,11,7,10,5,4,6,9/rA:15nCCCNCOCCSCCCCCC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s9;s7d10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17NOS
All Atoms:32
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.79053
Area:405.87
Solvation:-1.35623
Coulombic:-23.0954
Bond Count [?]
All:16
Single:13
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:223.336
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.94
LogP (Chemaxon):2.25

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Descriptor Annotations

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