Chemical ID: 4801187

CCOc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCc5ccccc5
Chemical ID:
4801187
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCc5ccccc5
InChi [?]:
InChI=1/C27H23NO4/c1-2-31-20-14-12-19(13-15-20)24-23-25(29)21-10-6-7-11-22(21)32-26(23)27(30)28(24)17-16-18-8-4-3-5-9-18/h3-15,24H,2,16-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,30,29,31,16,17,28,32,15,18,6,8,5,9,26,25,27,7,4,14,19,11,10,12,21,22,24,13,23,3,20/E:(4,5)(8,9)(12,13)(14,15)/rA:32cCCOCCCCCCCCCOCCCCCCOCCONCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s21;d22;s10s22;s24;s25;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H23NO4
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:11.9557
Area:658.282
Solvation:-4.50139
Coulombic:-44.8673
Bond Count [?]
All:36
Single:24
Double:12
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:425.476
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.63
LogP (Chemaxon):4.77

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Descriptor Annotations

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