Chemical ID: 7532593

CCOC(=O)c1c(c(sc1N)C(=O)NC(C)c2ccccc2)C
Chemical ID:
7532593
Name [?]:
ethyl 2-amino-4-methyl-5-(1-phenylethylcarbamoyl)thiophene-3-carboxylate
SMILES [?]:
CCOC(=O)c1c(c(sc1N)C(=O)NC(C)c2ccccc2)C
InChi [?]:
InChI=1/C17H20N2O3S/c1-4-22-17(21)13-10(2)14(23-15(13)18)16(20)19-11(3)12-8-6-5-7-9-12/h5-9,11H,4,18H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,23,16,2,20,19,21,18,22,7,15,17,6,8,10,12,4,11,14,13,5,3,9/E:(6,7)(8,9)/rA:23cCCOCOCCCSCNCONCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d6s9;s10;s8;d12;s12;s14;s15;s15;s17;d18;s19;d20;d17s21;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20N2O3S
All Atoms:43
Heavy Atoms:23
Chiral Atoms:None
ZAP Information [?]
Total:11.3972
Area:554.481
Solvation:-2.46486
Coulombic:-59.9219
Bond Count [?]
All:24
Single:17
Double:7
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.71
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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