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Chemical ID: 5290923
Chemical ID:
5290923
Name [?]:
None
SMILES [?]:
CN(C)CCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccc(cc4)OCC=C
InChi [?]:
InChI=1/C25H26N2O4/c1-4-16-30-18-12-10-17(11-13-18)22-21-23(28)19-8-5-6-9-20(19)31-24(21)25(29)27(22)15-7-14-26(2)3/h4-6,8-13,22H,1,7,14-16H2,2-3H3
InChi Info:
AuxInfo=1/0/N:31,1,3,30,14,15,5,13,16,23,27,24,26,4,6,29,22,25,12,17,9,8,10,19,20,2,7,11,21,28,18/E:(2,3)(10,11)(12,13)/rA:31cCNCCCCNCCCOCCCCCCOCCOCCCCCCOCCC/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;s29;d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H26N2O4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.0203 |
Area: | 636.594 |
Solvation: | -4.89454 |
Coulombic: | -49.3776 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 418.485 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.16 |
LogP (Chemaxon): | 3.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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