Chemical ID: 7210376

Cc1c(cnn1C(C)C(=O)N2CCOCC2)Br
Chemical ID:
7210376
Name [?]:
2-(4-bromo-5-methyl-pyrazol-1-yl)-1-morpholino-propan-1-one
SMILES [?]:
Cc1c(cnn1C(C)C(=O)N2CCOCC2)Br
InChi [?]:
InChI=1/C11H16BrN3O2/c1-8-10(12)7-13-15(8)9(2)11(16)14-3-5-17-6-4-14/h7,9H,3-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,12,16,13,15,4,2,7,3,9,17,5,11,6,10,14/E:(3,4)(5,6)/rA:17cCCCCNNCCCONCCOCCBr/rB:s1;d2;s3;d4;s2s5;s6;s7;s7;d9;s9;s11;s12;s13;s14;s11s15;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16BrN3O2
All Atoms:33
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:6.1156
Area:415.328
Solvation:-4.26759
Coulombic:-27.6055
Bond Count [?]
All:18
Single:15
Double:3
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:302.168
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.99
LogP (Chemaxon):0.49

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