Chemical ID: 5992489

CCNC(=O)N1CCCC1C(=O)Nc2nnc(s2)c3ccc(cc3)Br
Chemical ID:
5992489
Name [?]:
N'-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N-ethyl-pyrrolidine-1,2-dicarboxamide
SMILES [?]:
CCNC(=O)N1CCCC1C(=O)Nc2nnc(s2)c3ccc(cc3)Br
InChi [?]:
InChI=1/C16H18BrN5O2S/c1-2-18-16(24)22-9-3-4-12(22)13(23)19-15-21-20-14(25-15)10-5-7-11(17)8-6-10/h5-8,12H,2-4,9H2,1H3,(H,18,24)(H,19,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,8,9,20,24,21,23,7,19,22,10,11,17,14,4,25,3,13,16,15,6,12,5,18/E:(5,6)(7,8)/rA:25cCCNCONCCCCCONCNNCSCCCCCCBr/rB:s1;s2;s3;d4;s4;s6;s7;s8;s6s9;s10;d11;s11;s13;d14;s15;d16;s14s17;s17;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18BrN5O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.5273
Area:595.486
Solvation:-4.35983
Coulombic:-55.3873
Bond Count [?]
All:27
Single:20
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:424.317
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.25
LogP (Chemaxon):2.39

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