Chemical ID: 7015067

CCCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)OC)CCCN(C)C)O
Chemical ID:
7015067
Name [?]:
4-(3-butoxybenzoyl)-1-(3-dimethylaminopropyl)-3-hydroxy-5-(4-methoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)OC)CCCN(C)C)O
InChi [?]:
InChI=1/C27H34N2O5/c1-5-6-17-34-22-10-7-9-20(18-22)25(30)23-24(19-11-13-21(33-4)14-12-19)29(27(32)26(23)31)16-8-15-28(2)3/h7,9-14,18,24,31H,5-6,8,15-17H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,32,33,27,2,3,8,29,9,7,21,25,22,24,30,28,4,11,20,10,23,6,14,19,12,15,16,31,18,13,34,17,26,5/E:(2,3)(11,12)(13,14)/rA:34cCCCCOCCCCCCCOCCCONCCCCCCCOCCCCNCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;d12;s12;d14;s15;d16;s16;s14s18;s19;s20;d21;s22;d23;d20s24;s23;s26;s18;s28;s29;s30;s31;s31;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H34N2O5
All Atoms:68
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:12.0641
Area:758.945
Solvation:-6.90949
Coulombic:-62.9031
Bond Count [?]
All:36
Single:27
Double:9
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:466.569
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.59
LogP (Chemaxon):0.09

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Descriptor Annotations

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