Chemical ID: 7014972

CCCOc1ccc(cc1)C2C(=C(C(=O)N2CCCN(C)C)O)C(=O)c3cccc(c3)OCC
Chemical ID:
7014972
Name [?]:
1-(3-dimethylaminopropyl)-4-(3-ethoxybenzoyl)-3-hydroxy-5-(4-propoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1ccc(cc1)C2C(=C(C(=O)N2CCCN(C)C)O)C(=O)c3cccc(c3)OCC
InChi [?]:
InChI=1/C27H34N2O5/c1-5-17-34-21-13-11-19(12-14-21)24-23(25(30)20-9-7-10-22(18-20)33-6-2)26(31)27(32)29(24)16-8-15-28(3)4/h7,9-14,18,24,31H,5-6,8,15-17H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,34,21,22,2,33,28,18,27,29,7,9,6,10,19,17,3,31,8,26,5,30,12,11,24,13,14,20,16,25,23,15,32,4/E:(3,4)(11,12)(13,14)/rA:34cCCCOCCCCCCCCCCONCCCNCCOCOCCCCCCOCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;d14;s11s14;s16;s17;s18;s19;s20;s20;s13;s12;d24;s24;s26;d27;s28;d29;d26s30;s30;s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H34N2O5
All Atoms:68
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:12.0584
Area:759.446
Solvation:-6.92771
Coulombic:-62.6863
Bond Count [?]
All:36
Single:27
Double:9
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:466.569
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.44
LogP (Chemaxon):0.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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