Chemical ID: 7278441

c1cc(cc(c1)Br)NC(=O)COC(=O)c2ccc3c(c2)nc4n(c3=O)CCCCC4
Chemical ID:
7278441
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)Br)NC(=O)COC(=O)c2ccc3c(c2)nc4n(c3=O)CCCCC4
InChi [?]:
InChI=1/C22H20BrN3O4/c23-15-5-4-6-16(12-15)24-20(27)13-30-22(29)14-8-9-17-18(11-14)25-19-7-2-1-3-10-26(19)21(17)28/h4-6,8-9,11-12H,1-3,7,10,13H2,(H,24,27)
InChi Info:
AuxInfo=1/1/N:28,29,27,1,6,2,30,16,17,26,20,4,11,15,5,3,18,19,22,9,24,13,7,8,21,23,10,25,14,12/rA:30nCCCCCCBrNCOCOCOCCCCCCNCNCOCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;d21;s22;s18s23;d24;s23;s26;s27;s28;s22s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H20BrN3O4
All Atoms:50
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.9963
Area:642.576
Solvation:-4.06815
Coulombic:-62.3185
Bond Count [?]
All:33
Single:23
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:470.316
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.24
LogP (Chemaxon):3.53

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue