Chemical ID: 7022625

Cc1cc(ccc1C(=O)C2=C(C(=O)N(C2c3ccc(cc3)OCC(=O)N)CCN(C)C)O)OC(C)C
Chemical ID:
7022625
Name [?]:
2-[4-[1-(2-dimethylaminoethyl)-4-hydroxy-3-(4-isopropoxy-2-methyl-benzoyl)-5-oxo-2H-pyrrol-2-yl]phenoxy]acetamide
SMILES [?]:
Cc1cc(ccc1C(=O)C2=C(C(=O)N(C2c3ccc(cc3)OCC(=O)N)CCN(C)C)O)OC(C)C
InChi [?]:
InChI=1/C27H33N3O6/c1-16(2)36-20-10-11-21(17(3)14-20)25(32)23-24(30(13-12-29(4)5)27(34)26(23)33)18-6-8-19(9-7-18)35-15-22(28)31/h6-11,14,16,24,33H,12-13,15H2,1-5H3,(H2,28,31)
InChi Info:
AuxInfo=1/1/N:35,36,1,30,31,17,21,18,20,5,6,28,27,3,23,34,2,16,19,4,7,24,10,15,8,11,12,26,29,14,25,9,32,13,22,33/E:(1,2)(4,5)(6,7)(8,9)/rA:36cCCCCCCCCOCCCONCCCCCCCOCCONCCNCCOOCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;d10;s11;d12;s12;s10s14;s15;s16;d17;s18;d19;d16s20;s19;s22;s23;d24;s24;s14;s27;s28;s29;s29;s11;s4;s33;s34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H33N3O6
All Atoms:69
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:10.0187
Area:741.986
Solvation:-8.53093
Coulombic:-86.5898
Bond Count [?]
All:38
Single:28
Double:10
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:495.568
H-Bond Donors:3
H-Bond Acceptors:9
XLogP:2.86
LogP (Chemaxon):-0.91

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Descriptor Annotations

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