Chemical ID: 4169455

CC1(CC2=C(C(Nc3c2c4ccccc4cc3)c5cccnc5)C(=O)C1)C
Chemical ID:
4169455
Name [?]:
None
SMILES [?]:
CC1(CC2=C(C(Nc3c2c4ccccc4cc3)c5cccnc5)C(=O)C1)C
InChi [?]:
InChI=1/C24H22N2O/c1-24(2)12-18-21-17-8-4-3-6-15(17)9-10-19(21)26-23(22(18)20(27)13-24)16-7-5-11-25-14-16/h3-11,14,23,26H,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,13,12,20,14,19,11,16,17,21,3,26,23,15,18,10,4,8,24,9,5,6,2,22,7,25/E:(1,2)/rA:27cCCCCCCNCCCCCCCCCCCCCCNCCOCC/rB:s1;s2;s3;d4;s5;s6;s7;s4s8;d9;s10;d11;s12;d13;s10s14;d15;d8s16;s6;s18;d19;s20;d21;d18s22;s5;d24;s2s24;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H22N2O
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.2547
Area:518.876
Solvation:-2.71717
Coulombic:-26.6496
Bond Count [?]
All:31
Single:21
Double:10
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:354.444
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.25
LogP (Chemaxon):4.39

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Descriptor Annotations

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