Chemical ID: 6271504

CC(=O)Nc1ccc2c(c1)sc(=NC(=O)c3cc(cc(c3)Cl)Cl)n2CCOC
Chemical ID:
6271504
Name [?]:
N-[6-acetamido-3-(2-methoxyethyl)benzothiazol-2-ylidene]-3,5-dichloro-benzamide
SMILES [?]:
CC(=O)Nc1ccc2c(c1)sc(=NC(=O)c3cc(cc(c3)Cl)Cl)n2CCOC
InChi [?]:
InChI=1/C19H17Cl2N3O3S/c1-11(25)22-15-3-4-16-17(10-15)28-19(24(16)5-6-27-2)23-18(26)12-7-13(20)9-14(21)8-12/h3-4,7-10H,5-6H2,1-2H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,28,6,7,25,26,17,21,19,10,2,16,18,20,5,8,9,14,12,23,22,4,13,24,3,15,27,11/E:(7,8)(13,14)(20,21)/rA:28nCCONCCCCCCSCNCOCCCCCCClClNCCOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;s11;w12;s13;d14;s14;s16;d17;s18;d19;d16s20;s20;s18;s8s12;s24;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17Cl2N3O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.2726
Area:660.855
Solvation:-4.24881
Coulombic:-51.6458
Bond Count [?]
All:30
Single:21
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:438.328
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.16
LogP (Chemaxon):4.82

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Descriptor Annotations

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