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Chemical ID: 4152635
Chemical ID:
4152635
Name [?]:
2-chloro-N-[5-methyl-4-(p-tolyl)thiazol-2-yl]-4-nitro-benzamide
SMILES [?]:
Cc1ccc(cc1)c2c(sc(n2)NC(=O)c3ccc(cc3Cl)[N+](=O)[O-])C
InChi [?]:
InChI=1/C18H14ClN3O3S/c1-10-3-5-12(6-4-10)16-11(2)26-18(20-16)21-17(23)14-8-7-13(22(24)25)9-15(14)19/h3-9H,1-2H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,26,3,7,4,6,18,17,20,2,9,5,19,16,21,8,14,11,22,12,13,23,15,24,25,10/E:(3,4)(5,6)(24,25)/CRV:22.5/rA:26nCCCCCCCCCSCNNCOCCCCCCClN+OO-C/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s19;d23;s23;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14ClN3O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.07483 |
Area: | 587.555 |
Solvation: | -8.61404 |
Coulombic: | -37.9917 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 387.841 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.51 |
LogP (Chemaxon): | 5.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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