Chemical ID: 4272148

CC1(Cc2c(c(c3c(n2)CC(CC3=O)(C)C)c4cccc(c4)[N+](=O)[O-])C(=O)C1)C
Chemical ID:
4272148
Name [?]:
3,3,6,6-tetramethyl-9-(3-nitrophenyl)-2,4,5,7-tetrahydroacridine-1,8-dione
SMILES [?]:
CC1(Cc2c(c(c3c(n2)CC(CC3=O)(C)C)c4cccc(c4)[N+](=O)[O-])C(=O)C1)C
InChi [?]:
InChI=1/C23H24N2O4/c1-22(2)9-15-20(17(26)11-22)19(13-6-5-7-14(8-13)25(28)29)21-16(24-15)10-23(3,4)12-18(21)27/h5-8H,9-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,15,16,19,18,20,22,3,10,28,12,17,21,4,8,26,13,6,5,7,2,11,9,23,27,14,24,25/E:(1,2,3,4)(9,10)(11,12)(15,16)(17,18)(20,21)(22,23)(26,27)(28,29)/CRV:25.5/rA:29nCCCCCCCCNCCCCOCCCCCCCCN+OO-COCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;s7s12;d13;s11;s11;s6;s17;d18;s19;d20;d17s21;s21;d23;s23;s5;d26;s2s26;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24N2O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:6.30955
Area:563.447
Solvation:-7.77663
Coulombic:-32.9412
Bond Count [?]
All:32
Single:23
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:392.448
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.63
LogP (Chemaxon):3.57

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