Chemical ID: 5573004

Cc1ccsc1C(=O)Nc2ccc3c(c2)OCCO3
Chemical ID:
5573004
Name [?]:
N-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)-3-methyl-thiophene-2-carboxamide
SMILES [?]:
Cc1ccsc1C(=O)Nc2ccc3c(c2)OCCO3
InChi [?]:
InChI=1/C14H13NO3S/c1-9-4-7-19-13(9)14(16)15-10-2-3-11-12(8-10)18-6-5-17-11/h2-4,7-8H,5-6H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,11,12,3,18,17,4,15,2,10,13,14,6,7,9,8,19,16,5/rA:19nCCCCSCCONCCCCCCOCCO/rB:s1;s2;d3;s4;d2s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;s16;s17;s13s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13NO3S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.08925
Area:443.797
Solvation:-3.00566
Coulombic:-38.6106
Bond Count [?]
All:21
Single:15
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:275.324
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.78
LogP (Chemaxon):2.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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