Chemical ID: 6432388

CCCCCOc1cccc(c1)C2C(=C(C(=O)N2CCCOC)O)C(=O)c3ccc(cc3)OC
Chemical ID:
6432388
Name [?]:
3-hydroxy-4-(4-methoxybenzoyl)-1-(3-methoxypropyl)-5-(3-pentoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCCOc1cccc(c1)C2C(=C(C(=O)N2CCCOC)O)C(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C27H33NO6/c1-4-5-6-17-34-22-10-7-9-20(18-22)24-23(25(29)19-11-13-21(33-3)14-12-19)26(30)27(31)28(24)15-8-16-32-2/h7,9-14,18,24,30H,4-6,8,15-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,34,2,3,4,9,20,10,8,28,32,29,31,19,21,5,12,27,11,30,7,14,13,25,15,16,18,26,24,17,22,33,6/E:(11,12)(13,14)/rA:34cCCCCCOCCCCCCCCCCONCCCOCOCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;s13;d14;s15;d16;s13s16;s18;s19;s20;s21;s22;s15;s14;d25;s25;s27;d28;s29;d30;d27s31;s30;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H33NO6
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:11.4349
Area:765.162
Solvation:-7.6941
Coulombic:-66.1071
Bond Count [?]
All:36
Single:27
Double:9
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:467.554
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:5.12
LogP (Chemaxon):3.21

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue