Chemical ID: 6614877

CCCOc1ccc(c(c1)C)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)OC)CCCN(CC)CC)O
Chemical ID:
6614877
Name [?]:
1-(3-diethylaminopropyl)-3-hydroxy-5-(4-methoxyphenyl)-4-(2-methyl-4-propoxy-benzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1ccc(c(c1)C)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)OC)CCCN(CC)CC)O
InChi [?]:
InChI=1/C29H38N2O5/c1-6-18-36-23-14-15-24(20(4)19-23)27(32)25-26(21-10-12-22(35-5)13-11-21)31(29(34)28(25)33)17-9-16-30(7-2)8-3/h10-15,19,26,33H,6-9,16-18H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,33,35,11,27,2,32,34,29,21,25,22,24,6,7,30,28,3,10,9,20,23,5,8,14,19,12,15,16,31,18,13,36,17,26,4/E:(2,3)(7,8)(10,11)(12,13)/rA:36cCCCOCCCCCCCCOCCCONCCCCCCCOCCCCNCCCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s8;d12;s12;d14;s15;d16;s16;s14s18;s19;s20;d21;s22;d23;d20s24;s23;s26;s18;s28;s29;s30;s31;s32;s31;s34;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H38N2O5
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:12.082
Area:755.417
Solvation:-6.80345
Coulombic:-62.7349
Bond Count [?]
All:38
Single:29
Double:9
Rotors:13
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:494.622
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:5.3
LogP (Chemaxon):0.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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