Chemical ID: 5474832

CCOC(=O)c1c(c(sc1N)C(=O)NC)COC(=O)C=Cc2cccs2
Chemical ID:
5474832
Name [?]:
ethyl 2-amino-5-(methylcarbamoyl)-4-[3-(2-thienyl)prop-2-enoyloxymethyl]thiophene-3-carboxylate
SMILES [?]:
CCOC(=O)c1c(c(sc1N)C(=O)NC)COC(=O)C=Cc2cccs2
InChi [?]:
InChI=1/C17H18N2O5S2/c1-3-23-17(22)13-11(14(16(21)19-2)26-15(13)18)9-24-12(20)7-6-10-5-4-8-25-10/h4-8H,3,9,18H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,15,2,24,23,21,20,25,16,22,7,18,6,8,10,12,4,11,14,19,13,5,3,17,26,9/rA:26nCCOCOCCCSCNCONCCOCOCCCCCCS/rB:s1;s2;s3;d4;s4;s6;d7;s8;d6s9;s10;s8;d12;s12;s14;s7;s16;s17;d18;s18;w20;s21;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18N2O5S2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.8409
Area:592.165
Solvation:-3.96328
Coulombic:-76.9752
Bond Count [?]
All:27
Single:19
Double:8
Rotors:10
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:394.467
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:1.19
LogP (Chemaxon):1.37

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Descriptor Annotations

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