Chemical ID: 4852768

CCCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccccc3OC)CCN4CCOCC4)O
Chemical ID:
4852768
Name [?]:
3-hydroxy-5-(2-methoxyphenyl)-1-(2-morpholinoethyl)-4-(4-propoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccccc3OC)CCN4CCOCC4)O
InChi [?]:
InChI=1/C27H32N2O6/c1-3-16-35-20-10-8-19(9-11-20)25(30)23-24(21-6-4-5-7-22(21)33-2)29(27(32)26(23)31)13-12-28-14-17-34-18-15-28/h4-11,24,31H,3,12-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,2,21,22,20,23,7,9,6,10,28,27,30,34,3,31,33,8,5,19,24,13,18,11,14,15,29,17,12,35,16,25,32,4/E:(8,9)(10,11)(14,15)(17,18)/rA:35cCCCOCCCCCCCOCCCONCCCCCCCOCCCNCCOCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s24;s25;s17;s27;s28;s29;s30;s31;s32;s29s33;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H32N2O6
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:11.023
Area:721.894
Solvation:-7.02436
Coulombic:-71.964
Bond Count [?]
All:38
Single:29
Double:9
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:480.553
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.26
LogP (Chemaxon):0.77

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