Chemical ID: 4843162

CCCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccc(c3OC)OC)CCCN4CCOCC4)O
Chemical ID:
4843162
Name [?]:
5-(2,3-dimethoxyphenyl)-3-hydroxy-1-(3-morpholinopropyl)-4-(4-propoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccc(c3OC)OC)CCCN4CCOCC4)O
InChi [?]:
InChI=1/C29H36N2O7/c1-4-17-38-21-11-9-20(10-12-21)26(32)24-25(22-7-5-8-23(35-2)28(22)36-3)31(29(34)27(24)33)14-6-13-30-15-18-37-19-16-30/h5,7-12,25,33H,4,6,13-19H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,26,2,21,30,20,22,7,9,6,10,31,29,33,37,3,34,36,8,5,19,23,13,18,11,14,24,15,32,17,12,38,16,27,25,35,4/E:(9,10)(11,12)(15,16)(18,19)/rA:38cCCCOCCCCCCCOCCCONCCCCCCCOCOCCCCNCCOCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s24;s25;s23;s27;s17;s29;s30;s31;s32;s33;s34;s35;s32s36;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H36N2O7
All Atoms:38
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:10.3988
Area:780.047
Solvation:-9.10235
Coulombic:-78.156
Bond Count [?]
All:41
Single:32
Double:9
Rotors:12
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:524.605
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:3.27
LogP (Chemaxon):0.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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