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Chemical ID: 5284697
Chemical ID:
5284697
Name [?]:
None
SMILES [?]:
CN(C)CCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccc(cc4)OC
InChi [?]:
InChI=1/C23H24N2O4/c1-24(2)13-6-14-25-20(15-9-11-16(28-3)12-10-15)19-21(26)17-7-4-5-8-18(17)29-22(19)23(25)27/h4-5,7-12,20H,6,13-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,29,14,15,5,13,16,23,27,24,26,4,6,22,25,12,17,9,8,10,19,20,2,7,11,21,28,18/E:(1,2)(9,10)(11,12)/rA:29cCNCCCCNCCCOCCCCCCOCCOCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s7s19;d20;s8;s22;d23;s24;d25;d22s26;s25;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24N2O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.0081 |
Area: | 598.521 |
Solvation: | -4.95497 |
Coulombic: | -47.392 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 392.448 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.55 |
LogP (Chemaxon): | 2.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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