Chemical ID: 5290581

CCCCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cc(c(c(c3)OC)OC)OC)CCOC)O
Chemical ID:
5290581
Name [?]:
4-(4-butoxybenzoyl)-3-hydroxy-1-(2-methoxyethyl)-5-(3,4,5-trimethoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cc(c(c(c3)OC)OC)OC)CCOC)O
InChi [?]:
InChI=1/C27H33NO8/c1-6-7-13-36-19-10-8-17(9-11-19)24(29)22-23(28(12-14-32-2)27(31)25(22)30)18-15-20(33-3)26(35-5)21(16-18)34-4/h8-11,15-16,23,30H,6-7,12-14H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,35,27,31,29,2,3,8,10,7,11,32,4,33,25,21,9,20,6,24,22,14,19,12,15,23,16,18,13,36,17,34,26,30,28,5/E:(3,4)(8,9)(10,11)(15,16)(20,21)(33,34)/rA:36cCCCCOCCCCCCCOCCCONCCCCCCCOCOCOCCCOCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;d14;s15;d16;s16;s14s18;s19;s20;d21;s22;d23;d20s24;s24;s26;s23;s28;s22;s30;s18;s32;s33;s34;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H33NO8
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:8.39567
Area:751.922
Solvation:-10.4024
Coulombic:-79.4097
Bond Count [?]
All:38
Single:29
Double:9
Rotors:13
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:499.553
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:3.62
LogP (Chemaxon):2.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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