Chemical ID: 4498057

Cc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCOC(C)C
Chemical ID:
4498057
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCOC(C)C
InChi [?]:
InChI=1/C24H25NO4/c1-15(2)28-14-6-13-25-21(17-11-9-16(3)10-12-17)20-22(26)18-7-4-5-8-19(18)29-23(20)24(25)27/h4-5,7-12,15,21H,6,13-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:28,29,1,14,15,24,13,16,3,7,4,6,23,25,27,2,5,12,17,9,8,10,19,20,22,11,21,26,18/E:(1,2)(9,10)(11,12)/rA:29cCCCCCCCCCCOCCCCCCOCCONCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s19;d20;s8s20;s22;s23;s24;s25;s26;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H25NO4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:11.3114
Area:629.319
Solvation:-4.42156
Coulombic:-44.0088
Bond Count [?]
All:32
Single:23
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:391.46
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.91
LogP (Chemaxon):3.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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