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Chemical ID: 4169455
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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