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Chemical ID: 4577310
Chemical ID:
4577310
Name [?]:
None
SMILES [?]:
Cc1ccccc1C2c3c(c4ccccc4[nH]3)CC5N2C(=O)CN(C5=O)CCC(C)C
InChi [?]:
InChI=1/C26H29N3O2/c1-16(2)12-13-28-15-23(30)29-22(26(28)31)14-20-19-10-6-7-11-21(19)27-24(20)25(29)18-9-5-4-8-17(18)3/h4-11,16,22,25,27H,12-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:30,31,1,4,5,13,14,3,6,12,15,28,27,18,23,29,2,7,11,10,16,19,21,9,8,25,17,24,20,22,26/E:(1,2)/rA:31cCCCCCCCCCCCCCCCCNCCNCOCNCOCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;s11;d12;s13;d14;d11s15;s9s16;s10;s18;s8s19;s20;d21;s21;s23;s19s24;d25;s24;s27;s28;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H29N3O2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 12.0074 |
Area: | 618.733 |
Solvation: | -3.46089 |
Coulombic: | -46.7414 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 415.527 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.24 |
LogP (Chemaxon): | 4.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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