Chemical ID: 5285025

CC(C)Oc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccncc3)CCOC)O
Chemical ID:
5285025
Name [?]:
3-hydroxy-4-(4-isopropoxybenzoyl)-1-(2-methoxyethyl)-5-(4-pyridyl)-5H-pyrrol-2-one
SMILES [?]:
CC(C)Oc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccncc3)CCOC)O
InChi [?]:
InChI=1/C22H24N2O5/c1-14(2)29-17-6-4-16(5-7-17)20(25)18-19(15-8-10-23-11-9-15)24(12-13-28-3)22(27)21(18)26/h4-11,14,19,26H,12-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,28,7,9,6,10,20,24,21,23,25,26,2,19,8,5,13,18,11,14,15,22,17,12,29,16,27,4/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:29cCCCOCCCCCCCOCCCONCCCCNCCCCOCO/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s17;s25;s26;s27;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24N2O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:9.24171
Area:620.822
Solvation:-6.27885
Coulombic:-62.238
Bond Count [?]
All:31
Single:22
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:396.436
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.55
LogP (Chemaxon):0.67

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Descriptor Annotations

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