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Chemical ID: 7533267
Chemical ID:
7533267
Name [?]:
5-(2,5-dichlorophenyl)-N-(2,5-dioxabicyclo[4.4.0]deca-6,8,10-trien-8-ylthiocarbamoyl)furan-2-carboxamide
SMILES [?]:
c1cc2c(cc1NC(=S)NC(=O)c3ccc(o3)c4cc(ccc4Cl)Cl)OCCO2
InChi [?]:
InChI=1/C20H14Cl2N2O4S/c21-11-1-3-14(22)13(9-11)15-5-6-17(28-15)19(25)24-20(29)23-12-2-4-16-18(10-12)27-8-7-26-16/h1-6,9-10H,7-8H2,(H2,23,24,25,29)
InChi Info:
AuxInfo=1/1/N:21,1,22,2,15,14,28,27,19,5,20,6,18,23,16,3,13,4,11,8,25,24,7,10,12,29,26,17,9/rA:29nCCCCCCNCSNCOCCCCOCCCCCCClClOCCO/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;d11;s11;d13;s14;d15;s13s16;s16;s18;d19;s20;d21;d18s22;s23;s20;s4;s26;s27;s3s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H14Cl2N2O4S |
All Atoms: | 43 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.9226 |
Area: | 644.12 |
Solvation: | -4.18037 |
Coulombic: | -59.5994 |
Bond Count [?]
All: | 32 |
Single: | 22 |
Double: | 10 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.96 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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