Chemical ID: 7425284

c1cc(cc(c1)Cl)c2ccc(o2)C(=O)NC(=S)Nc3ccc4c(c3)OCCO4
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

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