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Chemical ID: 4267953
Chemical ID:
4267953
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c3c4n2CC(=O)N(C4CCC3)C(C)c5ccccc5
InChi [?]:
InChI=1/C23H24N2O/c1-15-11-12-20-19(13-15)18-9-6-10-21-23(18)24(20)14-22(26)25(21)16(2)17-7-4-3-5-8-17/h3-5,7-8,11-13,16,21H,6,9-10,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,24,23,25,17,22,26,18,16,3,4,7,11,2,19,21,8,6,5,15,12,9,10,14,13/E:(4,5)(7,8)/rA:26cCCCCCCCCCNCCONCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s10;s11;d12;s12;s9s14;s15;s16;s8s17;s14;s19;s19;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24N2O |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.674 |
Area: | 519.359 |
Solvation: | -2.30999 |
Coulombic: | -25.2193 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 344.45 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.75 |
LogP (Chemaxon): | 4.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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