Chemical ID: 7250770

Cc1c2cc(ccc2oc1C(=O)N(CC(=O)N)C(C)C)Br
Chemical ID:
7250770
Name [?]:
5-bromo-N-(carbamoylmethyl)-N-isopropyl-3-methyl-benzofuran-2-carboxamide
SMILES [?]:
Cc1c2cc(ccc2oc1C(=O)N(CC(=O)N)C(C)C)Br
InChi [?]:
InChI=1/C15H17BrN2O3/c1-8(2)18(7-13(17)19)15(20)14-9(3)11-6-10(16)4-5-12(11)21-14/h4-6,8H,7H2,1-3H3,(H2,17,19)
InChi Info:
AuxInfo=1/1/N:19,20,1,6,7,4,14,18,2,5,3,8,15,10,11,21,17,13,16,12,9/E:(1,2)/rA:21nCCCCCCCCOCCONCCONCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s10;d11;s11;s13;s14;d15;s15;s13;s18;s18;s5;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17BrN2O3
All Atoms:38
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.86719
Area:474.189
Solvation:-2.98754
Coulombic:-51.8369
Bond Count [?]
All:22
Single:16
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:353.211
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.1
LogP (Chemaxon):2.23

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