Chemical ID: 7022834

CCCCCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCN(C)C)O)C(=O)c3ccc(c(c3)C)OC
Chemical ID:
7022834
Name [?]:
1-(2-dimethylaminoethyl)-3-hydroxy-4-(4-methoxy-3-methyl-benzoyl)-5-(3-methoxy-4-pentoxy-phenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCN(C)C)O)C(=O)c3ccc(c(c3)C)OC
InChi [?]:
InChI=1/C29H38N2O6/c1-7-8-9-16-37-23-13-10-20(18-24(23)36-6)26-25(28(33)29(34)31(26)15-14-30(3)4)27(32)21-11-12-22(35-5)19(2)17-21/h10-13,17-18,26,33H,7-9,14-16H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,35,24,25,37,14,2,3,4,9,30,31,8,22,21,5,34,11,33,10,29,32,7,12,16,15,27,17,18,23,20,28,26,19,36,13,6/E:(3,4)/rA:37cCCCCCOCCCCCCOCCCCCONCCNCCOCOCCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s10;s15;d16;s17;d18;s15s18;s20;s21;s22;s23;s23;s17;s16;d27;s27;s29;d30;s31;d32;d29s33;s33;s32;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H38N2O6
All Atoms:75
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:10.9272
Area:802.863
Solvation:-9.14439
Coulombic:-68.9432
Bond Count [?]
All:39
Single:30
Double:9
Rotors:13
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:510.622
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:4.67
LogP (Chemaxon):1.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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