Chemical ID: 7004912

Cc1ccc(c(c1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)OC)CCCN4CCOCC4)O)C
Chemical ID:
7004912
Name [?]:
4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(3-morpholinopropyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1ccc(c(c1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)OC)CCCN4CCOCC4)O)C
InChi [?]:
InChI=1/C27H32N2O5/c1-18-5-6-19(2)22(17-18)25(30)23-24(20-7-9-21(33-3)10-8-20)29(27(32)26(23)31)12-4-11-28-13-15-34-16-14-28/h5-10,17,24,31H,4,11-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,34,23,25,3,4,17,21,18,20,26,24,28,32,29,31,7,2,5,16,19,6,10,15,8,11,12,27,14,9,33,13,22,30/E:(7,8)(9,10)(13,14)(15,16)/rA:34cCCCCCCCCOCCCONCCCCCCCOCCCCNCCOCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s11;d12;s12;s10s14;s15;s16;d17;s18;d19;d16s20;s19;s22;s14;s24;s25;s26;s27;s28;s29;s30;s27s31;s11;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H32N2O5
All Atoms:66
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:9.83767
Area:678.582
Solvation:-7.12688
Coulombic:-63.0715
Bond Count [?]
All:37
Single:28
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:464.553
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.8
LogP (Chemaxon):0.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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