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Chemical ID: 6432388
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.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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