Chemical ID: 5812303

CCC1(C2C(C(N1)c3ccccc3O)C(=O)N(C2=O)c4cccc5c4cccc5)C(=O)O
Chemical ID:
5812303
Name [?]:
8-ethyl-6-(2-hydroxyphenyl)-3-(1-naphthyl)-2,4-dioxo-3,7-diazabicyclo[3.3.0]octane-8-carboxylic acid
SMILES [?]:
CCC1(C2C(C(N1)c3ccccc3O)C(=O)N(C2=O)c4cccc5c4cccc5)C(=O)O
InChi [?]:
InChI=1/C25H22N2O5/c1-2-25(24(31)32)20-19(21(26-25)16-11-5-6-13-18(16)28)22(29)27(23(20)30)17-12-7-9-14-8-3-4-10-15(14)17/h3-13,19-21,26,28H,2H2,1H3,(H,31,32)
InChi Info:
AuxInfo=1/1/N:1,2,28,27,10,11,22,29,23,26,9,21,12,24,25,8,20,13,5,4,6,15,18,30,3,7,17,14,16,19,31,32/E:(31,32)/rA:32cCCCCCCNCCCCCCOCONCOCCCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;s3s6;s6;s8;d9;s10;d11;d8s12;s13;s5;d15;s15;s4s17;d18;s17;s20;d21;s22;d23;d20s24;s25;d26;s27;s24d28;s3;d30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H22N2O5
All Atoms:32
Heavy Atoms:32
Chiral Atoms:4
ZAP Information [?]
Total:7.62936
Area:530.86
Solvation:-5.64215
Coulombic:-76.1433
Bond Count [?]
All:36
Single:25
Double:11
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:430.453
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:2.51
LogP (Chemaxon):0.82

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