Chemical ID: 4858358

CCCOc1ccc(cc1)C2C(=C(C(=O)N2CCCN3CCOCC3)O)C(=O)c4ccccc4
Chemical ID:
4858358
Name [?]:
4-benzoyl-3-hydroxy-1-(3-morpholinopropyl)-5-(4-propoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1ccc(cc1)C2C(=C(C(=O)N2CCCN3CCOCC3)O)C(=O)c4ccccc4
InChi [?]:
InChI=1/C27H32N2O5/c1-2-17-34-22-11-9-20(10-12-22)24-23(25(30)21-7-4-3-5-8-21)26(31)27(32)29(24)14-6-13-28-15-18-33-19-16-28/h3-5,7-12,24,31H,2,6,13-19H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,32,31,33,18,30,34,7,9,6,10,19,17,21,25,3,22,24,8,29,5,12,11,27,13,14,20,16,28,26,15,23,4/E:(4,5)(7,8)(9,10)(11,12)(15,16)(18,19)/rA:34cCCCOCCCCCCCCCCONCCCNCCOCCOCOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;d14;s11s14;s16;s17;s18;s19;s20;s21;s22;s23;s20s24;s13;s12;d27;s27;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H32N2O5
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:11.5379
Area:735.53
Solvation:-6.85038
Coulombic:-64.4298
Bond Count [?]
All:37
Single:28
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:464.553
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.71
LogP (Chemaxon):0.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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