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Chemical ID: 5354057
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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