Chemical ID: 4800446

CCOc1cccc(c1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2Cc5ccco5)C
Chemical ID:
4800446
Name [?]:
None
SMILES [?]:
CCOc1cccc(c1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2Cc5ccco5)C
InChi [?]:
InChI=1/C25H21NO5/c1-3-29-17-7-4-6-16(13-17)22-21-23(27)19-12-15(2)9-10-20(19)31-24(21)25(28)26(22)14-18-8-5-11-30-18/h4-13,22H,3,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,31,2,6,28,7,5,27,17,18,29,15,9,25,16,8,4,26,14,19,11,10,12,21,22,24,13,23,3,30,20/rA:31cCCOCCCCCCCCCOCCCCCCOCCONCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s21;d22;s10s22;s24;s25;d26;s27;d28;s26s29;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H21NO5
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:9.80205
Area:630.527
Solvation:-5.96112
Coulombic:-48.6292
Bond Count [?]
All:35
Single:24
Double:11
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:415.438
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.6
LogP (Chemaxon):3.94

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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