Chemical ID: 4094531

c1cc(c(c(c1)Cl)Cl)N=C2NC(=O)C(=Cc3ccc4c(c3)OCCO4)S2
Chemical ID:
4094531
Name [?]:
2-(2,3-dichlorophenyl)imino-5-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylmethylene)thiazolidin-4-one
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)N=C2NC(=O)C(=Cc3ccc4c(c3)OCCO4)S2
InChi [?]:
InChI=1/C18H12Cl2N2O3S/c19-11-2-1-3-12(16(11)20)21-18-22-17(23)15(26-18)9-10-4-5-13-14(8-10)25-7-6-24-13/h1-5,8-9H,6-7H2,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,6,2,17,18,24,23,21,15,16,5,3,19,20,14,4,12,10,7,8,9,11,13,25,22,26/rA:26nCCCCCCClClNCNCOCCCCCCCCOCCOS/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;s23;s19s24;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12Cl2N2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.7553
Area:578.721
Solvation:-3.7127
Coulombic:-45.6554
Bond Count [?]
All:29
Single:20
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:407.271
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.96
LogP (Chemaxon):4.7

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