Chemical ID: 5812302

CCC1(C2C(C(N1)c3ccccc3O)C(=O)N(C2=O)c4ccccc4)C(=O)O
Chemical ID:
5812302
Name [?]:
8-ethyl-6-(2-hydroxyphenyl)-2,4-dioxo-3-phenyl-3,7-diazabicyclo[3.3.0]octane-8-carboxylic acid
SMILES [?]:
CCC1(C2C(C(N1)c3ccccc3O)C(=O)N(C2=O)c4ccccc4)C(=O)O
InChi [?]:
InChI=1/C21H20N2O5/c1-2-21(20(27)28)16-15(17(22-21)13-10-6-7-11-14(13)24)18(25)23(19(16)26)12-8-4-3-5-9-12/h3-11,15-17,22,24H,2H2,1H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,2,23,22,24,10,11,21,25,9,12,20,8,13,5,4,6,15,18,26,3,7,17,14,16,19,27,28/E:(4,5)(8,9)(27,28)/rA:28cCCCCCCNCCCCCCOCONCOCCCCCCCOO/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;s3;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20N2O5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:4
ZAP Information [?]
Total:7.36285
Area:508.789
Solvation:-5.35688
Coulombic:-75.4548
Bond Count [?]
All:31
Single:22
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:380.394
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:1.24
LogP (Chemaxon):-0.19

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