Chemical ID: 3973043

CC(C)CC1(C2C(C(N1)c3ccc4ccccc4c3)C(=O)N(C2=O)C)C(=O)O
Chemical ID:
3973043
Name [?]:
8-isobutyl-3-methyl-6-(2-naphthyl)-2,4-dioxo-3,7-diazabicyclo[3.3.0]octane-8-carboxylic acid
SMILES [?]:
CC(C)CC1(C2C(C(N1)c3ccc4ccccc4c3)C(=O)N(C2=O)C)C(=O)O
InChi [?]:
InChI=1/C22H24N2O4/c1-12(2)11-22(21(27)28)17-16(19(25)24(3)20(17)26)18(23-22)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,12,16-18,23H,11H2,1-3H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,3,25,15,16,14,17,12,11,19,4,2,13,18,10,7,6,8,20,23,26,5,9,22,21,24,27,28/E:(1,2)(27,28)/rA:28cCCCCCCCCNCCCCCCCCCCCONCOCCOO/rB:s1;s2;s2;s4;s5;s6;s7;s5s8;s8;s10;d11;s12;s13;d14;s15;d16;d13s17;d10s18;s7;d20;s20;s6s22;d23;s22;s5;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24N2O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:4
ZAP Information [?]
Total:8.65134
Area:525.271
Solvation:-4.48044
Coulombic:-60.5532
Bond Count [?]
All:31
Single:23
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:380.437
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.42
LogP (Chemaxon):0.14

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Descriptor Annotations

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