Chemical ID: 7015001

CCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)OCC)CCCN(C)C)O
Chemical ID:
7015001
Name [?]:
1-(3-dimethylaminopropyl)-5-(4-ethoxyphenyl)-3-hydroxy-4-(3-propoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)OCC)CCCN(C)C)O
InChi [?]:
InChI=1/C27H34N2O5/c1-5-17-34-22-10-7-9-20(18-22)25(30)23-24(19-11-13-21(14-12-19)33-6-2)29(27(32)26(23)31)16-8-15-28(3)4/h7,9-14,18,24,31H,5-6,8,15-17H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,27,32,33,2,26,7,29,8,6,20,24,21,23,30,28,3,10,19,9,22,5,13,18,11,14,15,31,17,12,34,16,25,4/E:(3,4)(11,12)(13,14)/rA:34cCCCOCCCCCCCOCCCONCCCCCCCOCCCCCNCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s22;s25;s26;s17;s28;s29;s30;s31;s31;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H34N2O5
All Atoms:68
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:12.0721
Area:759.171
Solvation:-6.90712
Coulombic:-62.685
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:4.44
LogP (Chemaxon):0.03

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Descriptor Annotations

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