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Chemical ID: 6004264
Chemical ID:
6004264
Name [?]:
2,4-dichloro-N-[1-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]ethyl]benzamide
SMILES [?]:
CC(C(=O)Nc1nnc(s1)c2ccccc2)NC(=O)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C18H14Cl2N4O2S/c1-10(21-16(26)13-8-7-12(19)9-14(13)20)15(25)22-18-24-23-17(27-18)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,26)(H,22,24,25)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,12,16,22,21,24,2,11,23,20,25,3,18,9,6,27,26,17,5,8,7,4,19,10/E:(3,4)(5,6)/rA:27cCCCONCNNCSCCCCCCNCOCCCCCCClCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;s6s9;s9;s11;d12;s13;d14;d11s15;s2;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14Cl2N4O2S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.1914 |
Area: | 636.711 |
Solvation: | -3.72634 |
Coulombic: | -49.0407 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 421.301 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.12 |
LogP (Chemaxon): | 3.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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