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Chemical ID: 7158507
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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