Chemical ID: 6432022

COc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)OCC(=O)N)CCCN4CCOCC4)O
Chemical ID:
6432022
Name [?]:
2-[4-[4-hydroxy-3-(4-methoxybenzoyl)-1-(3-morpholinopropyl)-5-oxo-2H-pyrrol-2-yl]phenoxy]acetamide
SMILES [?]:
COc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)OCC(=O)N)CCCN4CCOCC4)O
InChi [?]:
InChI=1/C27H31N3O7/c1-35-20-7-5-19(6-8-20)25(32)23-24(18-3-9-21(10-4-18)37-17-22(28)31)30(27(34)26(23)33)12-2-11-29-13-15-36-16-14-29/h3-10,24,33H,2,11-17H2,1H3,(H2,28,31)
InChi Info:
AuxInfo=1/1/N:1,29,18,22,5,7,4,8,19,21,30,28,32,36,33,35,24,17,6,3,20,25,11,16,9,12,13,27,31,15,26,10,37,14,2,34,23/E:(3,4)(5,6)(7,8)(9,10)(13,14)(15,16)/rA:37cCOCCCCCCCOCCCONCCCCCCCOCCONCCCNCCOCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;d11;s12;d13;s13;s11s15;s16;s17;d18;s19;d20;d17s21;s20;s23;s24;d25;s25;s15;s28;s29;s30;s31;s32;s33;s34;s31s35;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H31N3O7
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:9.21648
Area:783.311
Solvation:-10.3663
Coulombic:-93.7767
Bond Count [?]
All:40
Single:30
Double:10
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:509.551
H-Bond Donors:3
H-Bond Acceptors:10
XLogP:1.49
LogP (Chemaxon):-1.75

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