Chemical ID: 7175582

Cc1cc(=O)oc2c1ccc(c2)NC(=O)C(C)n3c(c(cn3)Br)C
Chemical ID:
7175582
Name [?]:
2-(4-bromo-5-methyl-pyrazol-1-yl)-N-(4-methyl-2-oxo-chromen-7-yl)-propanamide
SMILES [?]:
Cc1cc(=O)oc2c1ccc(c2)NC(=O)C(C)n3c(c(cn3)Br)C
InChi [?]:
InChI=1/C17H16BrN3O3/c1-9-6-16(22)24-15-7-12(4-5-13(9)15)20-17(23)11(3)21-10(2)14(18)8-19-21/h4-8,11H,1-3H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,24,17,10,9,3,12,21,2,19,16,11,8,20,7,4,14,23,22,13,18,5,15,6/rA:24cCCCCOOCCCCCCNCOCCNCCCNBrC/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;d10;d7s11;s11;s13;d14;s14;s16;s16;s18;d19;s20;s18d21;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16BrN3O3
All Atoms:40
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:8.75395
Area:541.216
Solvation:-4.77645
Coulombic:-41.6629
Bond Count [?]
All:26
Single:18
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:390.231
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.92
LogP (Chemaxon):3.28

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