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Chemical ID: 4573536
Chemical ID:
4573536
Name [?]:
None
SMILES [?]:
CCC(C)N1CC(=O)N2C(C1=O)Cc3c4ccccc4[nH]c3C2c5cccc(c5OC)OC
InChi [?]:
InChI=1/C26H29N3O4/c1-5-15(2)28-14-22(30)29-20(26(28)31)13-18-16-9-6-7-11-19(16)27-23(18)24(29)17-10-8-12-21(32-3)25(17)33-4/h6-12,15,20,24,27H,5,13-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,4,33,31,2,17,18,26,16,25,19,27,13,6,3,15,24,14,20,10,28,7,22,23,29,11,21,5,9,8,12,32,30/rA:33cCCCCNCCONCCOCCCCCCCCNCCCCCCCCOCOC/rB:s1;s2;s3;s3;s5;s6;d7;s7;s9;s5s10;d11;s10;s13;s14;s15;d16;s17;d18;d15s19;s20;d14s21;s9s22;s23;s24;d25;s26;d27;d24s28;s29;s30;s28;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H29N3O4 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 10.02 |
Area: | 633.432 |
Solvation: | -5.81579 |
Coulombic: | -60.5192 |
Bond Count [?]
All: | 37 |
Single: | 28 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 447.526 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 2.75 |
LogP (Chemaxon): | 3.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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