Chemical ID: 7015892

CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)c2cccc(c2)OCC)c3ccncc3
Chemical ID:
7015892
Name [?]:
1-(2-diethylaminoethyl)-4-(3-ethoxybenzoyl)-3-hydroxy-5-(4-pyridyl)-5H-pyrrol-2-one
SMILES [?]:
CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)c2cccc(c2)OCC)c3ccncc3
InChi [?]:
InChI=1/C24H29N3O4/c1-4-26(5-2)14-15-27-21(17-10-12-25-13-11-17)20(23(29)24(27)30)22(28)18-8-7-9-19(16-18)31-6-3/h7-13,16,21,29H,4-6,14-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,25,2,4,24,19,18,20,27,31,28,30,6,7,22,26,17,21,10,9,15,11,12,29,3,8,16,14,13,23/E:(1,2)(4,5)(10,11)(12,13)/rA:31cCCNCCCCNCCCCOOCOCCCCCCOCCCCCNCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s8s11;d12;s11;s10;d15;s15;s17;d18;s19;d20;d17s21;s21;s23;s24;s9;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H29N3O4
All Atoms:60
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:10.9629
Area:683.618
Solvation:-6.12757
Coulombic:-58.901
Bond Count [?]
All:33
Single:24
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:423.505
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.98
LogP (Chemaxon):-0.93

Name Annotations

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Descriptor Annotations

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