Chemical ID: 4698990

Cc1c(sc(n1)c2ccc(cc2)Cl)C(=NOC(=O)c3ccc(cc3)Cl)C
Chemical ID:
4698990
Name [?]:
1-[2-(4-chlorophenyl)-4-methyl-thiazol-5-yl]ethylideneamino 4-chlorobenzoate
SMILES [?]:
Cc1c(sc(n1)c2ccc(cc2)Cl)C(=NOC(=O)c3ccc(cc3)Cl)C
InChi [?]:
InChI=1/C19H14Cl2N2O2S/c1-11-17(26-18(22-11)13-3-7-15(20)8-4-13)12(2)23-25-19(24)14-5-9-16(21)10-6-14/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,8,12,20,24,9,11,21,23,2,14,7,19,10,22,3,5,17,13,25,6,15,18,16,4/E:(3,4)(5,6)(7,8)(9,10)/rA:26nCCCSCNCCCCCCClCNOCOCCCCCCClC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s9;d10;d7s11;s10;s3;w14;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14Cl2N2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.8219
Area:604.118
Solvation:-2.28106
Coulombic:-24.6809
Bond Count [?]
All:28
Single:18
Double:10
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:405.298
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.78
LogP (Chemaxon):5.12

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