Chemical ID: 4894657

CC(C)COc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccncc3)CCCOC)O
Chemical ID:
4894657
Name [?]:
3-hydroxy-4-(4-isobutoxybenzoyl)-1-(3-methoxypropyl)-5-(4-pyridyl)-5H-pyrrol-2-one
SMILES [?]:
CC(C)COc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccncc3)CCCOC)O
InChi [?]:
InChI=1/C24H28N2O5/c1-16(2)15-31-19-7-5-18(6-8-19)22(27)20-21(17-9-11-25-12-10-17)26(13-4-14-30-3)24(29)23(20)28/h5-12,16,21,28H,4,13-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,30,27,8,10,7,11,21,25,22,24,26,28,4,2,20,9,6,14,19,12,15,16,23,18,13,31,17,29,5/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:31cCCCCOCCCCCCCOCCCONCCCCNCCCCCOCO/rB:s1;s2;s2;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:10.0965
Area:689.591
Solvation:-7.14324
Coulombic:-62.0007
Bond Count [?]
All:33
Single:24
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:424.49
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.11
LogP (Chemaxon):1.18

Name Annotations

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Descriptor Annotations

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