Chemical ID: 7035945

CCCCCOc1cccc(c1)C2C(=C(C(=O)N2CCN(CC)CC)O)C(=O)c3ccc(cc3)OC
Chemical ID:
7035945
Name [?]:
1-(2-diethylaminoethyl)-3-hydroxy-4-(4-methoxybenzoyl)-5-(3-pentoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCCOc1cccc(c1)C2C(=C(C(=O)N2CCN(CC)CC)O)C(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C29H38N2O5/c1-5-8-9-19-36-24-12-10-11-22(20-24)26-25(27(32)21-13-15-23(35-4)16-14-21)28(33)29(34)31(26)18-17-30(6-2)7-3/h10-16,20,26,33H,5-9,17-19H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,23,25,36,2,22,24,3,4,9,10,8,30,34,31,33,20,19,5,12,29,11,32,7,14,13,27,15,16,21,18,28,26,17,35,6/E:(2,3)(6,7)(13,14)(15,16)/rA:36cCCCCCOCCCCCCCCCCONCCNCCCCOCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;s13;d14;s15;d16;s13s16;s18;s19;s20;s21;s22;s21;s24;s15;s14;d27;s27;s29;d30;s31;d32;d29s33;s32;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H38N2O5
All Atoms:74
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:13.5308
Area:801.894
Solvation:-6.51659
Coulombic:-63.9377
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:5.65
LogP (Chemaxon):1.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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