Chemical ID: 7014950

CN(C)CCCN1C(C(=C(C1=O)O)C(=O)c2cccc(c2)OC)c3cccc(c3)O
Chemical ID:
7014950
Name [?]:
1-(3-dimethylaminopropyl)-3-hydroxy-5-(3-hydroxyphenyl)-4-(3-methoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CN(C)CCCN1C(C(=C(C1=O)O)C(=O)c2cccc(c2)OC)c3cccc(c3)O
InChi [?]:
InChI=1/C23H26N2O5/c1-24(2)11-6-12-25-20(15-7-4-9-17(26)13-15)19(22(28)23(25)29)21(27)16-8-5-10-18(14-16)30-3/h4-5,7-10,13-14,20,26,28H,6,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,23,26,18,5,25,17,27,19,4,6,29,21,24,16,28,20,9,8,14,10,11,2,7,30,15,13,12,22/E:(1,2)/rA:30cCNCCCCNCCCCOOCOCCCCCCOCCCCCCCO/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s7s10;d11;s10;s9;d14;s14;s16;d17;s18;d19;d16s20;s20;s22;s8;s24;d25;s26;d27;d24s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H26N2O5
All Atoms:56
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:9.74765
Area:657.453
Solvation:-6.68867
Coulombic:-70.4412
Bond Count [?]
All:32
Single:23
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:410.463
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.92
LogP (Chemaxon):-1.15

Name Annotations

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Descriptor Annotations

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