Chemical ID: 7018747

Cc1ccc(c(c1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)Oc4ccccc4)CCCN(C)C)O)C
Chemical ID:
7018747
Name [?]:
1-(3-dimethylaminopropyl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(3-phenoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1ccc(c(c1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)Oc4ccccc4)CCCN(C)C)O)C
InChi [?]:
InChI=1/C30H32N2O4/c1-20-14-15-21(2)25(18-20)28(33)26-27(32(30(35)29(26)34)17-9-16-31(3)4)22-10-8-13-24(19-22)36-23-11-6-5-7-12-23/h5-8,10-15,18-19,27,34H,9,16-17H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,36,33,34,26,25,27,18,30,17,24,28,19,3,4,31,29,7,21,2,5,16,23,20,6,10,15,8,11,12,32,14,9,35,13,22/E:(3,4)(6,7)(11,12)/rA:36cCCCCCCCCOCCCONCCCCCCCOCCCCCCCCCNCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s11;d12;s12;s10s14;s15;s16;d17;s18;d19;d16s20;s20;s22;s23;d24;s25;d26;d23s27;s14;s29;s30;s31;s32;s32;s11;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H32N2O4
All Atoms:68
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:12.3066
Area:705.014
Solvation:-5.3187
Coulombic:-57.219
Bond Count [?]
All:39
Single:27
Double:12
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:484.586
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.76
LogP (Chemaxon):1.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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