Chemical ID: 6001990

Cc1cc(no1)NC(=O)CN(C(C)C)C(=O)c2ccc(cc2)Br
Chemical ID:
6001990
Name [?]:
4-bromo-N-isopropyl-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]benzamide
SMILES [?]:
Cc1cc(no1)NC(=O)CN(C(C)C)C(=O)c2ccc(cc2)Br
InChi [?]:
InChI=1/C16H18BrN3O3/c1-10(2)20(16(22)12-4-6-13(17)7-5-12)9-15(21)18-14-8-11(3)23-19-14/h4-8,10H,9H2,1-3H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:13,14,1,18,22,19,21,3,10,12,2,17,20,4,8,15,23,7,5,11,9,16,6/E:(1,2)(4,5)(6,7)/rA:23nCCCCNONCOCNCCCCOCCCCCCBr/rB:s1;d2;s3;d4;s2s5;s4;s7;d8;s8;s10;s11;s12;s12;s11;d15;s15;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18BrN3O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.44048
Area:526.783
Solvation:-3.7291
Coulombic:-41.8546
Bond Count [?]
All:24
Single:17
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:380.237
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.27
LogP (Chemaxon):3.04

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