Chemical ID: 3961636

CCC(=O)N(Cc1ccccc1)c2nnc(s2)c3ccc(cc3)Cl
Chemical ID:
3961636
Name [?]:
N-benzyl-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-propanamide
SMILES [?]:
CCC(=O)N(Cc1ccccc1)c2nnc(s2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H16ClN3OS/c1-2-16(23)22(12-13-6-4-3-5-7-13)18-21-20-17(24-18)14-8-10-15(19)11-9-14/h3-11H,2,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,9,11,8,12,19,23,20,22,6,7,18,21,3,16,13,24,15,14,5,4,17/E:(4,5)(6,7)(8,9)(10,11)/rA:24nCCCONCCCCCCCCNNCSCCCCCCCl/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;d10;d7s11;s5;d13;s14;d15;s13s16;s16;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16ClN3OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.8823
Area:561.98
Solvation:-2.16718
Coulombic:-24.4566
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:357.858
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.19
LogP (Chemaxon):4.28

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