Chemical ID: 6002042

Cc1cc(no1)NC(=O)CN(C2CC2)C(=O)c3ccccc3Br
Chemical ID:
6002042
Name [?]:
2-bromo-N-cyclopropyl-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]benzamide
SMILES [?]:
Cc1cc(no1)NC(=O)CN(C2CC2)C(=O)c3ccccc3Br
InChi [?]:
InChI=1/C16H16BrN3O3/c1-10-8-14(19-23-10)18-15(21)9-20(11-6-7-11)16(22)12-4-2-3-5-13(12)17/h2-5,8,11H,6-7,9H2,1H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,19,20,18,21,13,14,3,10,2,12,17,22,4,8,15,23,7,5,11,9,16,6/E:(6,7)/rA:23nCCCCNONCOCNCCCCOCCCCCCBr/rB:s1;d2;s3;d4;s2s5;s4;s7;d8;s8;s10;s11;s12;s12s13;s11;d15;s15;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16BrN3O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.96652
Area:512.969
Solvation:-3.85771
Coulombic:-41.1089
Bond Count [?]
All:25
Single:18
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:378.221
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.93
LogP (Chemaxon):2.68

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