Chemical ID: 6004264

CC(C(=O)Nc1nnc(s1)c2ccccc2)NC(=O)c3ccc(cc3Cl)Cl
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

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