Chemical ID: 4857902

COc1ccc(cc1OC)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)Cl)CCN4CCOCC4)O
Chemical ID:
4857902
Name [?]:
5-(4-chlorophenyl)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5H-pyrrol-2-one
SMILES [?]:
COc1ccc(cc1OC)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)Cl)CCN4CCOCC4)O
InChi [?]:
InChI=1/C25H27ClN2O6/c1-32-19-8-5-17(15-20(19)33-2)23(29)21-22(16-3-6-18(26)7-4-16)28(25(31)24(21)30)10-9-27-11-13-34-14-12-27/h3-8,15,22,30H,9-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,20,24,5,21,23,4,27,26,29,33,30,32,7,19,6,22,3,8,13,18,11,14,15,25,28,17,12,34,16,2,9,31/E:(3,4)(6,7)(11,12)(13,14)/rA:34cCOCCCCCCOCCOCCCONCCCCCCCClCCNCCOCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s22;s17;s26;s27;s28;s29;s30;s31;s28s32;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H27ClN2O6
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:9.04775
Area:722.764
Solvation:-9.02136
Coulombic:-69.6341
Bond Count [?]
All:37
Single:28
Double:9
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:486.944
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:2.84
LogP (Chemaxon):0.28

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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