Chemical ID: 7015763

CCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)OC)CCN4CCOCC4)O
Chemical ID:
7015763
Name [?]:
5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(2-morpholinoethyl)-4-(3-propoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)OC)CCN4CCOCC4)O
InChi [?]:
InChI=1/C28H34N2O7/c1-4-14-37-21-7-5-6-20(17-21)26(31)24-25(19-8-9-22(34-2)23(18-19)35-3)30(28(33)27(24)32)11-10-29-12-15-36-16-13-29/h5-9,17-18,25,32H,4,10-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,26,2,7,8,6,20,21,30,29,32,36,3,33,35,10,24,19,9,5,22,23,13,18,11,14,15,31,17,12,37,16,27,25,34,4/E:(12,13)(15,16)/rA:37cCCCOCCCCCCCOCCCONCCCCCCCOCOCCCNCCOCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s23;s25;s22;s27;s17;s29;s30;s31;s32;s33;s34;s31s35;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H34N2O7
All Atoms:71
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:8.76791
Area:774.657
Solvation:-10.5985
Coulombic:-76.209
Bond Count [?]
All:40
Single:31
Double:9
Rotors:11
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:510.579
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:2.91
LogP (Chemaxon):0.48

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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