ChemDB: Chemical Search
Download
Chemical ID: 7425284
Chemical ID:
7425284
Name [?]:
5-(3-chlorophenyl)-N-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylthiocarbamoyl)furan-2-carboxamide
SMILES [?]:
c1cc(cc(c1)Cl)c2ccc(o2)C(=O)NC(=S)Nc3ccc4c(c3)OCCO4
InChi [?]:
InChI=1/C20H15ClN2O4S/c21-13-3-1-2-12(10-13)15-6-7-17(27-15)19(24)23-20(28)22-14-4-5-16-18(11-14)26-9-8-25-16/h1-7,10-11H,8-9H2,(H2,22,23,24,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,20,21,9,10,27,26,4,24,3,5,19,8,22,11,23,13,16,7,18,15,14,28,25,12,17/rA:28nCCCCCCClCCCCOCONCSNCCCCCCOCCO/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s9;d10;s8s11;s11;d13;s13;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;s25;s26;s22s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H15ClN2O4S |
All Atoms: | 43 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4901 |
Area: | 620.3 |
Solvation: | -4.01736 |
Coulombic: | -59.9028 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 414.863 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.34 |
LogP (Chemaxon): | 3.8 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|