Chemical ID: 5294510

CCCCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccncc3)CCCOC)O
Chemical ID:
5294510
Name [?]:
4-(4-butoxybenzoyl)-3-hydroxy-1-(3-methoxypropyl)-5-(4-pyridyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccncc3)CCCOC)O
InChi [?]:
InChI=1/C24H28N2O5/c1-3-4-16-31-19-8-6-18(7-9-19)22(27)20-21(17-10-12-25-13-11-17)26(14-5-15-30-2)24(29)23(20)28/h6-13,21,28H,3-5,14-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,2,3,27,8,10,7,11,21,25,22,24,26,28,4,20,9,6,14,19,12,15,16,23,18,13,31,17,29,5/E:(6,7)(8,9)(10,11)(12,13)/rA:31cCCCCOCCCCCCCOCCCONCCCCNCCCCCOCO/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;s18;s26;s27;s28;s29;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H28N2O5
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:10.2015
Area:695.867
Solvation:-7.19522
Coulombic:-61.9992
Bond Count [?]
All:33
Single:24
Double:9
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:424.49
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.38
LogP (Chemaxon):1.17

Name Annotations

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Descriptor Annotations

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