Chemical ID: 5284240

CC(C)COc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccnc3)CCOC)O
Chemical ID:
5284240
Name [?]:
3-hydroxy-4-(4-isobutoxybenzoyl)-1-(2-methoxyethyl)-5-(3-pyridyl)-5H-pyrrol-2-one
SMILES [?]:
CC(C)COc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccnc3)CCOC)O
InChi [?]:
InChI=1/C23H26N2O5/c1-15(2)14-30-18-8-6-16(7-9-18)21(26)19-20(17-5-4-10-24-13-17)25(11-12-29-3)23(28)22(19)27/h4-10,13,15,20,27H,11-12,14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,29,22,21,8,10,7,11,23,26,27,25,4,2,9,20,6,14,19,12,15,16,24,18,13,30,17,28,5/E:(1,2)(6,7)(8,9)/rA:30cCCCCOCCCCCCCOCCCONCCCCCNCCCOCO/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;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H26N2O5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:9.86744
Area:648.031
Solvation:-6.33334
Coulombic:-62.8076
Bond Count [?]
All:32
Single:23
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:410.463
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.75
LogP (Chemaxon):1.2

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Descriptor Annotations

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