Chemical ID: 5354057

CC(=O)Nc1ccc2c(c1)sc(n2)NC(=O)c3cc(c(c(c3)Cl)OC)Cl
Chemical ID:
5354057
Name [?]:
N-(6-acetamidobenzothiazol-2-yl)-3,5-dichloro-4-methoxy-benzamide
SMILES [?]:
CC(=O)Nc1ccc2c(c1)sc(n2)NC(=O)c3cc(c(c(c3)Cl)OC)Cl
InChi [?]:
InChI=1/C17H13Cl2N3O3S/c1-8(23)20-10-3-4-13-14(7-10)26-17(21-13)22-16(24)9-5-11(18)15(25-2)12(19)6-9/h3-7H,1-2H3,(H,20,23)(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,25,6,7,18,22,10,2,17,5,19,21,8,9,20,15,12,26,23,4,13,14,3,16,24,11/E:(5,6)(11,12)(18,19)/rA:26nCCONCCCCCCSCNNCOCCCCCCClOCCl/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;s11;s8d12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;s20;s24;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13Cl2N3O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.2504
Area:609.703
Solvation:-4.99212
Coulombic:-52.9936
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:410.275
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.32
LogP (Chemaxon):4.25

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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