Chemical ID: 4846922

CN(CCOC(=O)C1c2ccccc2Oc3c1cccc3)Cc4ccccc4
Chemical ID:
4846922
Name [?]:
2-(benzyl-methyl-amino)ethyl 9H-xanthene-9-carboxylate
SMILES [?]:
CN(CCOC(=O)C1c2ccccc2Oc3c1cccc3)Cc4ccccc4
InChi [?]:
InChI=1/C24H23NO3/c1-25(17-18-9-3-2-4-10-18)15-16-27-24(26)23-19-11-5-7-13-21(19)28-22-14-8-6-12-20(22)23/h2-14,23H,15-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,26,25,27,11,19,12,20,24,28,10,18,13,21,3,4,22,23,9,17,14,16,8,6,2,7,5,15/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(19,20)(21,22)/rA:28cCNCCOCOCCCCCCCOCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;s15;s8s16;d17;s18;d19;d16s20;s2;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H23NO3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:11.3329
Area:589.593
Solvation:-3.40691
Coulombic:-34.9453
Bond Count [?]
All:31
Single:21
Double:10
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:373.444
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.46
LogP (Chemaxon):4.63

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Descriptor Annotations

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