Chemical ID: 6002074

Cc1cc(no1)NC(=O)CN(CCOC)C(=O)c2cccc(c2)Br
Chemical ID:
6002074
Name [?]:
3-bromo-N-(2-methoxyethyl)-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]benzamide
SMILES [?]:
Cc1cc(no1)NC(=O)CN(CCOC)C(=O)c2cccc(c2)Br
InChi [?]:
InChI=1/C16H18BrN3O4/c1-11-8-14(19-24-11)18-15(21)10-20(6-7-23-2)16(22)12-4-3-5-13(17)9-12/h3-5,8-9H,6-7,10H2,1-2H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,15,20,19,21,12,13,3,23,10,2,18,22,4,8,16,24,7,5,11,9,17,14,6/rA:24nCCCCNONCOCNCCOCCOCCCCCCBr/rB:s1;d2;s3;d4;s2s5;s4;s7;d8;s8;s10;s11;s12;s13;s14;s11;d16;s16;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18BrN3O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.77963
Area:551.39
Solvation:-6.00512
Coulombic:-47.8306
Bond Count [?]
All:25
Single:18
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:396.236
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.2
LogP (Chemaxon):2.12

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