Chemical ID: 4693363

Cc1c(sc(n1)c2ccccc2)C(=NOC(=O)c3ccc(cc3)Cl)C
Chemical ID:
4693363
Name [?]:
1-(4-methyl-2-phenyl-thiazol-5-yl)ethylideneamino 4-chlorobenzoate
SMILES [?]:
Cc1c(sc(n1)c2ccccc2)C(=NOC(=O)c3ccc(cc3)Cl)C
InChi [?]:
InChI=1/C19H15ClN2O2S/c1-12-17(25-18(21-12)14-6-4-3-5-7-14)13(2)22-24-19(23)15-8-10-16(20)11-9-15/h3-11H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,10,9,11,8,12,19,23,20,22,2,13,7,18,21,3,5,16,24,6,14,17,15,4/E:(4,5)(6,7)(8,9)(10,11)/rA:25nCCCSCNCCCCCCCNOCOCCCCCCClC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s9;d10;d7s11;s3;w13;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s21;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15ClN2O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.9439
Area:568.442
Solvation:-2.26711
Coulombic:-24.6686
Bond Count [?]
All:27
Single:17
Double:10
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:370.853
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.16
LogP (Chemaxon):4.6

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