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Chemical ID: 7062131
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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