Chemical ID: 7015724

CCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)OC)CCN4CCOCC4)O
Chemical ID:
7015724
Name [?]:
5-(3,4-dimethoxyphenyl)-4-(3-ethoxybenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)OC)CCN4CCOCC4)O
InChi [?]:
InChI=1/C27H32N2O7/c1-4-36-20-7-5-6-19(16-20)25(30)23-24(18-8-9-21(33-2)22(17-18)34-3)29(27(32)26(23)31)11-10-28-12-14-35-15-13-28/h5-9,16-17,24,31H,4,10-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,25,2,6,7,5,19,20,29,28,31,35,32,34,9,23,18,8,4,21,22,12,17,10,13,14,30,16,11,36,15,26,24,33,3/E:(12,13)(14,15)/rA:36cCCOCCCCCCCOCCCONCCCCCCCOCOCCCNCCOCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;d10;s10;d12;s13;d14;s14;s12s16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;s16;s28;s29;s30;s31;s32;s33;s30s34;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H32N2O7
All Atoms:68
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:8.09676
Area:748.014
Solvation:-10.6036
Coulombic:-75.7294
Bond Count [?]
All:39
Single:30
Double:9
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:496.552
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:2.55
LogP (Chemaxon):0.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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