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Chemical ID: 6285301
Chemical ID:
6285301
Name [?]:
2,4-dichloro-N-(4-ethoxy-3-methyl-benzothiazol-2-ylidene)-benzamide
SMILES [?]:
CCOc1cccc2c1n(c(=NC(=O)c3ccc(cc3Cl)Cl)s2)C
InChi [?]:
InChI=1/C17H14Cl2N2O2S/c1-3-23-13-5-4-6-14-15(13)21(2)17(24-14)20-16(22)11-8-7-10(18)9-12(11)19/h4-9H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,2,6,5,7,17,16,19,18,15,20,4,8,9,13,11,22,21,12,10,14,3,23/rA:24nCCOCCCCCCNCNCOCCCCCCClClSC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s18;s8s11;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14Cl2N2O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9525 |
Area: | 551.68 |
Solvation: | -2.83954 |
Coulombic: | -33.1185 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 381.277 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.43 |
LogP (Chemaxon): | 5.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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