Chemical ID: 5164513

CC(C)c1ccc(cc1)C2C(=C(C(=O)N2)O)C(=O)c3ccc(c(c3)OC)OC
Chemical ID:
5164513
Name [?]:
4-(3,4-dimethoxybenzoyl)-3-hydroxy-5-(4-isopropylphenyl)-1,5-dihydropyrrol-2-one
SMILES [?]:
CC(C)c1ccc(cc1)C2C(=C(C(=O)N2)O)C(=O)c3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C22H23NO5/c1-12(2)13-5-7-14(8-6-13)19-18(21(25)22(26)23-19)20(24)15-9-10-16(27-3)17(11-15)28-4/h5-12,19,25H,1-4H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,3,28,26,5,9,6,8,20,21,24,2,4,7,19,22,23,11,10,17,12,13,15,18,16,14,27,25/E:(1,2)(5,6)(7,8)/rA:28cCCCCCCCCCCCCCONOCOCCCCCCOCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;d13;s10s13;s12;s11;d17;s17;s19;d20;s21;d22;d19s23;s23;s25;s22;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23NO5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:8.05034
Area:606.25
Solvation:-7.10592
Coulombic:-61.48
Bond Count [?]
All:30
Single:21
Double:9
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:381.422
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.02
LogP (Chemaxon):2.67

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue