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Chemical ID: 5759645
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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