Chemical ID: 4256765

CCOC(=O)c1c2c(sc1N)CCCC2
Chemical ID:
4256765
Name [?]:
ethyl 2-amino-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
SMILES [?]:
CCOC(=O)c1c2c(sc1N)CCCC2
InChi [?]:
InChI=1/C11H15NO2S/c1-2-14-11(13)9-7-5-3-4-6-8(7)15-10(9)12/h2-6,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,13,15,12,7,8,6,10,4,11,5,3,9/rA:15nCCOCOCCCSCNCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d6s9;s10;s8;s12;s13;s7s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15NO2S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.52468
Area:397.162
Solvation:-1.40436
Coulombic:-37.1553
Bond Count [?]
All:16
Single:13
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:225.308
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.71
LogP (Chemaxon):2.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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