Chemical ID: 4863819

C=CCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)Cl)CCN4CCOCC4)O
Chemical ID:
4863819
Name [?]:
4-(4-allyloxybenzoyl)-5-(4-chlorophenyl)-3-hydroxy-1-(2-morpholinoethyl)-5H-pyrrol-2-one
SMILES [?]:
C=CCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)Cl)CCN4CCOCC4)O
InChi [?]:
InChI=1/C26H27ClN2O5/c1-2-15-34-21-9-5-19(6-10-21)24(30)22-23(18-3-7-20(27)8-4-18)29(26(32)25(22)31)12-11-28-13-16-33-17-14-28/h2-10,23,31H,1,11-17H2
InChi Info:
AuxInfo=1/0/N:1,2,20,24,7,9,21,23,6,10,27,26,29,33,3,30,32,19,8,22,5,13,18,11,14,15,25,28,17,12,34,16,31,4/E:(3,4)(5,6)(7,8)(9,10)(13,14)(16,17)/rA:34cCCCOCCCCCCCOCCCONCCCCCCCClCCNCCOCCO/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;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:C26H27ClN2O5
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:11.724
Area:737.63
Solvation:-6.71671
Coulombic:-65.8021
Bond Count [?]
All:37
Single:27
Double:10
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:482.956
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.8
LogP (Chemaxon):1.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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