Chemical ID: 6004316

CC(C(=O)Nc1nnc(s1)c2ccccc2)NC(=O)c3cccc(c3)Cl
Chemical ID:
6004316
Name [?]:
3-chloro-N-[1-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]ethyl]benzamide
SMILES [?]:
CC(C(=O)Nc1nnc(s1)c2ccccc2)NC(=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C18H15ClN4O2S/c1-11(20-16(25)13-8-5-9-14(19)10-13)15(24)21-18-23-22-17(26-18)12-6-3-2-4-7-12/h2-11H,1H3,(H,20,25)(H,21,23,24)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,22,12,16,21,23,25,2,11,20,24,3,18,9,6,26,17,5,8,7,4,19,10/E:(3,4)(6,7)/rA:26cCCCONCNNCSCCCCCCNCOCCCCCCCl/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;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15ClN4O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:11.8945
Area:614.098
Solvation:-3.45799
Coulombic:-49.7023
Bond Count [?]
All:28
Single:18
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:386.856
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.5
LogP (Chemaxon):3.3

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