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Chemical ID: 4408607
Chemical ID:
4408607
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)NC3=C(C(N2)c4c[nH]c5c4cccc5)C(=O)CC(C3)(C)C
InChi [?]:
InChI=1/C25H27N3O/c1-14-9-19-20(10-15(14)2)28-24(17-13-26-18-8-6-5-7-16(17)18)23-21(27-19)11-25(3,4)12-22(23)29/h5-10,13,24,26-28H,11-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:8,1,28,29,20,21,19,22,6,3,27,25,15,7,2,18,14,17,5,4,10,23,11,12,26,16,9,13,24/E:(3,4)/rA:29cCCCCCCCCNCCCNCCNCCCCCCCOCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;s4s12;s12;d14;s15;s16;s14s17;d18;s19;d20;d17s21;s11;d23;s23;s25;s10s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H27N3O |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.5868 |
Area: | 568.509 |
Solvation: | -2.6259 |
Coulombic: | -42.5852 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 385.501 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 5.03 |
LogP (Chemaxon): | 5.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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