Chemical ID: 7017645

CCCOc1ccc(cc1)C2C(=C(C(=O)N2CCCN(CC)CC)O)C(=O)c3cccc(c3)OCC
Chemical ID:
7017645
Name [?]:
1-(3-diethylaminopropyl)-4-(3-ethoxybenzoyl)-3-hydroxy-5-(4-propoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1ccc(cc1)C2C(=C(C(=O)N2CCCN(CC)CC)O)C(=O)c3cccc(c3)OCC
InChi [?]:
InChI=1/C29H38N2O5/c1-5-19-36-23-15-13-21(14-16-23)26-25(27(32)22-11-9-12-24(20-22)35-8-4)28(33)29(34)31(26)18-10-17-30(6-2)7-3/h9,11-16,20,26,33H,5-8,10,17-19H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,22,24,36,2,21,23,35,30,18,29,31,7,9,6,10,19,17,3,33,8,28,5,32,12,11,26,13,14,20,16,27,25,15,34,4/E:(2,3)(6,7)(13,14)(15,16)/rA:36cCCCOCCCCCCCCCCONCCCNCCCCOCOCCCCCCOCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;d14;s11s14;s16;s17;s18;s19;s20;s21;s20;s23;s13;s12;d26;s26;s28;d29;s30;d31;d28s32;s32;s34;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H38N2O5
All Atoms:74
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:13.4947
Area:808.722
Solvation:-6.72338
Coulombic:-63.2095
Bond Count [?]
All:38
Single:29
Double:9
Rotors:14
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:494.622
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:5.29
LogP (Chemaxon):0.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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