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Chemical ID: 6562751
Chemical ID:
6562751
Name [?]:
(4-morpholinophenyl)carbamoylmethyl anthracene-9-carboxylate
SMILES [?]:
c1ccc2c(c1)cc3ccccc3c2C(=O)OCC(=O)Nc4ccc(cc4)N5CCOCC5
InChi [?]:
InChI=1/C27H24N2O4/c30-25(28-21-9-11-22(12-10-21)29-13-15-32-16-14-29)18-33-27(31)26-23-7-3-1-5-19(23)17-20-6-2-4-8-24(20)26/h1-12,17H,13-16,18H2,(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,10,2,11,6,9,3,12,23,27,24,26,29,33,30,32,7,18,5,8,22,25,4,13,19,14,15,21,28,20,16,31,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(19,20)(23,24)/rA:33nCCCCCCCCCCCCCCCOOCCONCCCCCCNCCOCC/rB:s1;d2;s3;s4;d1s5;d5;s7;s8;d9;s10;d11;d8s12;d4s13;s14;d15;s15;s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s25;s28;s29;s30;s31;s28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H24N2O4 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3057 |
Area: | 675.166 |
Solvation: | -5.57345 |
Coulombic: | -56.7834 |
Bond Count [?]
All: | 37 |
Single: | 25 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 440.491 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 5.04 |
LogP (Chemaxon): | 4.6 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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