Chemical ID: 7019784

CCCCOc1ccc(cc1)C2C(=C(C(=O)N2Cc3ccccc3)O)C(=O)c4cc(ccc4C)C
Chemical ID:
7019784
Name [?]:
1-benzyl-5-(4-butoxyphenyl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
CCCCOc1ccc(cc1)C2C(=C(C(=O)N2Cc3ccccc3)O)C(=O)c4cc(ccc4C)C
InChi [?]:
InChI=1/C30H31NO4/c1-4-5-17-35-24-15-13-23(14-16-24)27-26(28(32)25-18-20(2)11-12-21(25)3)29(33)30(34)31(27)19-22-9-7-6-8-10-22/h6-16,18,27,33H,4-5,17,19H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,35,34,2,3,22,21,23,20,24,31,32,8,10,7,11,4,29,18,30,33,19,9,6,28,13,12,26,14,15,17,27,25,16,5/E:(7,8)(9,10)(13,14)(15,16)/rA:35cCCCCOCCCCCCCCCCONCCCCCCCOCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;d13;s14;d15;s12s15;s17;s18;s19;d20;s21;d22;d19s23;s14;s13;d26;s26;s28;d29;s30;d31;d28s32;s33;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H31NO4
All Atoms:66
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:12.0886
Area:693.042
Solvation:-5.23745
Coulombic:-53.4504
Bond Count [?]
All:38
Single:26
Double:12
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:469.571
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:7.05
LogP (Chemaxon):5.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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