Chemical ID: 7015330

CCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccncc3)CCCOC)O
Chemical ID:
7015330
Name [?]:
3-hydroxy-1-(3-methoxypropyl)-4-(3-propoxybenzoyl)-5-(4-pyridyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccncc3)CCCOC)O
InChi [?]:
InChI=1/C23H26N2O5/c1-3-13-30-18-7-4-6-17(15-18)21(26)19-20(16-8-10-24-11-9-16)25(12-5-14-29-2)23(28)22(19)27/h4,6-11,15,20,27H,3,5,12-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,2,7,26,8,6,20,24,21,23,25,3,27,10,19,9,5,13,18,11,14,15,22,17,12,30,16,28,4/E:(8,9)(10,11)/rA:30cCCCOCCCCCCCOCCCONCCCCNCCCCCOCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s17;s25;s26;s27;s28;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H26N2O5
All Atoms:56
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:9.44652
Area:671.065
Solvation:-7.3301
Coulombic:-61.4768
Bond Count [?]
All:32
Single:23
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:410.463
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.81
LogP (Chemaxon):0.79

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Descriptor Annotations

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