Chemical ID: 3946261

c1cc(ccc1N(CC(=O)NC2CCCC2)C(=O)c3csnn3)Br
Chemical ID:
3946261
Name [?]:
N-(4-bromophenyl)-N-(cyclopentylcarbamoylmethyl)thiadiazole-4-carboxamide
SMILES [?]:
c1cc(ccc1N(CC(=O)NC2CCCC2)C(=O)c3csnn3)Br
InChi [?]:
InChI=1/C16H17BrN4O2S/c17-11-5-7-13(8-6-11)21(16(23)14-10-24-20-19-14)9-15(22)18-12-3-1-2-4-12/h5-8,10,12H,1-4,9H2,(H,18,22)
InChi Info:
AuxInfo=1/1/N:14,15,13,16,2,4,1,5,8,20,3,12,6,19,9,17,24,11,23,22,7,10,18,21/E:(1,2)(3,4)(5,6)(7,8)/rA:24nCCCCCCNCCONCCCCCCOCCSNNBr/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s12s15;s7;d17;s17;d19;s20;s21;s19d22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17BrN4O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.4317
Area:538.618
Solvation:-3.03378
Coulombic:-40.691
Bond Count [?]
All:26
Single:19
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:409.302
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.15
LogP (Chemaxon):2.18

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