Chemical ID: 7217686

CC(=O)Oc1cccc(c1)C=C2C(=O)N(C(=O)S2)c3ccc(cc3)Cl
Chemical ID:
7217686
Name [?]:
[3-[[3-(4-chlorophenyl)-2,4-dioxo-thiazolidin-5-ylidene]methyl]phenyl] acetate
SMILES [?]:
CC(=O)Oc1cccc(c1)C=C2C(=O)N(C(=O)S2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H12ClNO4S/c1-11(21)24-15-4-2-3-12(9-15)10-16-17(22)20(18(23)25-16)14-7-5-13(19)6-8-14/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,8,6,21,23,20,24,10,11,2,9,22,19,5,12,13,16,25,15,3,14,17,4,18/E:(5,6)(7,8)/rA:25nCCOOCCCCCCCCCONCOSCCCCCCCl/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;w11;s12;d13;s13;s15;d16;s12s16;s15;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12ClNO4S
All Atoms:37
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.2634
Area:559.29
Solvation:-3.71886
Coulombic:-45.7389
Bond Count [?]
All:27
Single:17
Double:10
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:373.811
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.55
LogP (Chemaxon):3.77

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