Chemical ID: 6599288

c1ccc2c(c1)CCC23C(=O)N(C(=O)N3)CC(=O)Nc4ccc(cc4)Br
Chemical ID:
6599288
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)CCC23C(=O)N(C(=O)N3)CC(=O)Nc4ccc(cc4)Br
InChi [?]:
InChI=1/C19H16BrN3O3/c20-13-5-7-14(8-6-13)21-16(24)11-23-17(25)19(22-18(23)26)10-9-12-3-1-2-4-15(12)19/h1-8H,9-11H2,(H,21,24)(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,22,24,21,25,7,8,16,5,23,20,4,17,10,13,9,26,19,15,12,18,11,14/E:(5,6)(7,8)/rA:26cCCCCCCCCCCONCONCCONCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;s9;d10;s10;s12;d13;s9s13;s12;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16BrN3O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.3392
Area:558.62
Solvation:-3.62634
Coulombic:-61.3712
Bond Count [?]
All:29
Single:20
Double:9
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:414.253
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.23
LogP (Chemaxon):2.98

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