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Chemical ID: 4571619
Chemical ID:
4571619
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)CN2CC(=O)N3C(C2=O)Cc4c5ccccc5[nH]c4C3CCc6ccccc6
InChi [?]:
InChI=1/C30H29N3O2/c1-20-11-13-22(14-12-20)18-32-19-28(34)33-26(16-15-21-7-3-2-4-8-21)29-24(17-27(33)30(32)35)23-9-5-6-10-25(23)31-29/h2-14,26-27,31H,15-19H2,1H3
InChi Info:
AuxInfo=1/0/N:1,33,32,34,21,22,31,35,20,23,3,7,4,6,29,28,17,8,10,2,30,5,19,18,24,27,14,11,26,15,25,9,13,12,16/E:(3,4)(7,8)(11,12)(13,14)/rA:35cCCCCCCCCNCCONCCOCCCCCCCCNCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s11;s13;s9s14;d15;s14;s17;s18;s19;d20;s21;d22;d19s23;s24;d18s25;s13s26;s27;s28;s29;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H29N3O2 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 13.6166 |
Area: | 672.094 |
Solvation: | -3.18579 |
Coulombic: | -48.4395 |
Bond Count [?]
All: | 40 |
Single: | 28 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 463.57 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.84 |
LogP (Chemaxon): | 5.2 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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