Chemical ID: 4817435

CCOc1ccc(cc1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)c4ccc(c(c4)C)OC
Chemical ID:
4817435
Name [?]:
5-(4-ethoxyphenyl)-3-hydroxy-4-(4-methoxy-3-methyl-benzoyl)-1-(2-morpholinoethyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1ccc(cc1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)c4ccc(c(c4)C)OC
InChi [?]:
InChI=1/C27H32N2O6/c1-4-35-21-8-5-19(6-9-21)24-23(25(30)20-7-10-22(33-3)18(2)17-20)26(31)27(32)29(24)12-11-28-13-15-34-16-14-28/h5-10,17,24,31H,4,11-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,33,35,2,6,8,28,5,9,29,17,16,19,23,20,22,32,31,7,27,4,30,11,10,25,12,13,18,15,26,24,14,34,21,3/E:(5,6)(8,9)(13,14)(15,16)/rA:35cCCOCCCCCCCCCCONCCNCCOCCOCOCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;d13;s10s13;s15;s16;s17;s18;s19;s20;s21;s18s22;s12;s11;d25;s25;s27;d28;s29;d30;d27s31;s31;s30;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H32N2O6
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:10.2594
Area:740.023
Solvation:-8.24118
Coulombic:-69.8528
Bond Count [?]
All:38
Single:29
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:480.553
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.13
LogP (Chemaxon):0.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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