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Chemical ID: 4562754
Chemical ID:
4562754
Name [?]:
None
SMILES [?]:
CC(=O)N1C(Cc2c3ccccc3[nH]c2C1c4ccc(c(c4)OC)OC)C(=O)OC
InChi [?]:
InChI=1/C23H24N2O5/c1-13(26)25-18(23(27)30-4)12-16-15-7-5-6-8-17(15)24-21(16)22(25)14-9-10-19(28-2)20(11-14)29-3/h5-11,18,22,24H,12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,26,24,30,10,11,9,12,18,19,22,6,2,17,8,7,13,5,20,21,15,16,27,14,4,3,28,25,23,29/rA:30cCCONCCCCCCCCCNCCCCCCCCOCOCCOOC/rB:s1;d2;s2;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;d7s14;s4s15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s5;d27;s27;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24N2O5 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.74591 |
Area: | 595.804 |
Solvation: | -7.14919 |
Coulombic: | -59.5161 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 408.447 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 2.43 |
LogP (Chemaxon): | 2.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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