Chemical ID: 6001778

CCCN(CC(=O)Nc1cc(on1)C)C(=O)c2cccc(c2)Br
Chemical ID:
6001778
Name [?]:
3-bromo-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]-N-propyl-benzamide
SMILES [?]:
CCCN(CC(=O)Nc1cc(on1)C)C(=O)c2cccc(c2)Br
InChi [?]:
InChI=1/C16H18BrN3O3/c1-3-7-20(16(22)12-5-4-6-13(17)9-12)10-15(21)18-14-8-11(2)23-19-14/h4-6,8-9H,3,7,10H2,1-2H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,14,2,19,18,20,3,10,22,5,11,17,21,9,6,15,23,8,13,4,7,16,12/rA:23nCCCNCCONCCCONCCOCCCCCCBr/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d9s12;s11;s4;d15;s15;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18BrN3O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.69199
Area:538.857
Solvation:-3.77945
Coulombic:-41.925
Bond Count [?]
All:24
Single:17
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:380.237
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.17
LogP (Chemaxon):3.09

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