Chemical ID: 4126793

CCOc1ccc(cc1)C2C(=C(C(=O)N2CCN(C)C)O)C(=O)c3ccc(c(c3)C)OCc4ccccc4
Chemical ID:
4126793
Name [?]:
4-(4-benzyloxy-3-methyl-benzoyl)-1-(2-dimethylaminoethyl)-5-(4-ethoxyphenyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
CCOc1ccc(cc1)C2C(=C(C(=O)N2CCN(C)C)O)C(=O)c3ccc(c(c3)C)OCc4ccccc4
InChi [?]:
InChI=1/C31H34N2O5/c1-5-37-25-14-11-23(12-15-25)28-27(30(35)31(36)33(28)18-17-32(3)4)29(34)24-13-16-26(21(2)19-24)38-20-22-9-7-6-8-10-22/h6-16,19,28,35H,5,17-18,20H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,30,19,20,2,36,35,37,34,38,6,8,25,5,9,26,17,16,29,32,28,33,7,24,4,27,11,10,22,12,13,18,15,23,21,14,3,31/E:(3,4)(7,8)(9,10)(11,12)(14,15)/rA:38cCCOCCCCCCCCCCONCCNCCOCOCCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;d13;s10s13;s15;s16;s17;s18;s18;s12;s11;d22;s22;s24;d25;s26;d27;d24s28;s28;s27;s31;s32;s33;d34;s35;d36;d33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H34N2O5
All Atoms:38
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:13.1466
Area:810.224
Solvation:-7.10901
Coulombic:-64.2284
Bond Count [?]
All:41
Single:29
Double:12
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:514.612
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:5.24
LogP (Chemaxon):1.79

Name Annotations

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Descriptor Annotations

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