Chemical ID: 7158507

Cc1c(cnn1CC(=O)NCCCN2CCCC2=O)Br
Chemical ID:
7158507
Name [?]:
2-(4-bromo-5-methyl-pyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILES [?]:
Cc1c(cnn1CC(=O)NCCCN2CCCC2=O)Br
InChi [?]:
InChI=1/C13H19BrN4O2/c1-10-11(14)8-16-18(10)9-12(19)15-5-3-7-17-6-2-4-13(17)20/h8H,2-7,9H2,1H3,(H,15,19)
InChi Info:
AuxInfo=1/1/N:1,16,12,17,11,15,13,4,7,2,3,8,18,20,10,5,14,6,9,19/rA:20nCCCCNNCCONCCCNCCCCOBr/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;s14s17;d18;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19BrN4O2
All Atoms:39
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.26818
Area:515.698
Solvation:-4.62427
Coulombic:-38.3135
Bond Count [?]
All:21
Single:17
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:343.22
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.7
LogP (Chemaxon):-0.47

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