Chemical ID: 6009895

Cc1cc(no1)NC(=O)CN(CC2CCCO2)C(=O)c3ccc(cc3)Br
Chemical ID:
6009895
Name [?]:
4-bromo-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]-N-(tetrahydrofuran-2-ylmethyl)benzamide
SMILES [?]:
Cc1cc(no1)NC(=O)CN(CC2CCCO2)C(=O)c3ccc(cc3)Br
InChi [?]:
InChI=1/C18H20BrN3O4/c1-12-9-16(21-26-12)20-17(23)11-22(10-15-3-2-8-25-15)18(24)13-4-6-14(19)7-5-13/h4-7,9,15H,2-3,8,10-11H2,1H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,15,14,21,25,22,24,16,3,12,10,2,20,23,13,4,8,18,26,7,5,11,9,19,17,6/E:(4,5)(6,7)/rA:26cCCCCNONCOCNCCCCCOCOCCCCCCBr/rB:s1;d2;s3;d4;s2s5;s4;s7;d8;s8;s10;s11;s12;s13;s14;s15;s13s16;s11;d18;s18;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20BrN3O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:8.75586
Area:576.654
Solvation:-5.6605
Coulombic:-48.4382
Bond Count [?]
All:28
Single:21
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:422.273
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.74
LogP (Chemaxon):2.51

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