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Chemical ID: 4570812
Chemical ID:
4570812
Name [?]:
None
SMILES [?]:
CC(C)CN1CC(=O)N2C(C1=O)Cc3c4ccccc4[nH]c3C2CCc5ccccc5
InChi [?]:
InChI=1/C26H29N3O2/c1-17(2)15-28-16-24(30)29-22(13-12-18-8-4-3-5-9-18)25-20(14-23(29)26(28)31)19-10-6-7-11-21(19)27-25/h3-11,17,22-23,27H,12-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,29,28,30,17,18,27,31,16,19,25,24,13,4,6,2,26,15,14,20,23,10,7,22,11,21,5,9,8,12/E:(1,2)(4,5)(8,9)/rA:31cCCCCNCCONCCOCCCCCCCCNCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;s5s10;d11;s10;s13;s14;s15;d16;s17;d18;d15s19;s20;d14s21;s9s22;s23;s24;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H29N3O2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 12.4797 |
Area: | 611.216 |
Solvation: | -2.80074 |
Coulombic: | -47.6443 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 415.527 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.77 |
LogP (Chemaxon): | 4.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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