Chemical ID: 7018818

CCc1ccc(cc1)C2C(=C(C(=O)N2CCCOC)O)C(=O)c3cc(ccc3C)C
Chemical ID:
7018818
Name [?]:
4-(2,5-dimethylbenzoyl)-5-(4-ethylphenyl)-3-hydroxy-1-(3-methoxypropyl)-5H-pyrrol-2-one
SMILES [?]:
CCc1ccc(cc1)C2C(=C(C(=O)N2CCCOC)O)C(=O)c3cc(ccc3C)C
InChi [?]:
InChI=1/C25H29NO4/c1-5-18-9-11-19(12-10-18)22-21(23(27)20-15-16(2)7-8-17(20)3)24(28)25(29)26(22)13-6-14-30-4/h7-12,15,22,28H,5-6,13-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,30,29,19,2,16,26,27,4,8,5,7,15,17,24,25,28,3,6,23,10,9,21,11,12,14,22,20,13,18/E:(9,10)(11,12)/rA:30cCCCCCCCCCCCCONCCCOCOCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;s9s12;s14;s15;s16;s17;s18;s11;s10;d21;s21;s23;d24;s25;d26;d23s27;s28;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H29NO4
All Atoms:59
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:10.4643
Area:630.353
Solvation:-5.29449
Coulombic:-52.0356
Bond Count [?]
All:32
Single:23
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:407.502
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.14
LogP (Chemaxon):3.91

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Descriptor Annotations

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