Chemical ID: 7015373

CCCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccncc3)CCCOC)O
Chemical ID:
7015373
Name [?]:
4-(3-butoxybenzoyl)-3-hydroxy-1-(3-methoxypropyl)-5-(4-pyridyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccncc3)CCCOC)O
InChi [?]:
InChI=1/C24H28N2O5/c1-3-4-15-31-19-8-5-7-18(16-19)22(27)20-21(17-9-11-25-12-10-17)26(13-6-14-30-2)24(29)23(20)28/h5,7-12,16,21,28H,3-4,6,13-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,2,3,8,27,9,7,21,25,22,24,26,28,4,11,20,10,6,14,19,12,15,16,23,18,13,31,17,29,5/E:(9,10)(11,12)/rA:31cCCCCOCCCCCCCOCCCONCCCCNCCCCCOCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;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:59
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:10.0794
Area:695.917
Solvation:-7.3185
Coulombic:-61.7988
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):1.19

Name Annotations

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Descriptor Annotations

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