Chemical ID: 7014944

CCCCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCCN(C)C)O)C(=O)c3cccc(c3)OC
Chemical ID:
7014944
Name [?]:
5-(4-butoxy-3-methoxy-phenyl)-1-(3-dimethylaminopropyl)-3-hydroxy-4-(3-methoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCCN(C)C)O)C(=O)c3cccc(c3)OC
InChi [?]:
InChI=1/C28H36N2O6/c1-6-7-16-36-22-13-12-19(18-23(22)35-5)25-24(26(31)20-10-8-11-21(17-20)34-4)27(32)28(33)30(25)15-9-14-29(2)3/h8,10-13,17-18,25,32H,6-7,9,14-16H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,24,25,36,13,2,3,31,21,30,32,8,7,22,20,4,34,10,9,29,33,6,11,15,14,27,16,17,23,19,28,26,18,35,12,5/E:(2,3)/rA:36cCCCCOCCCCCCOCCCCCONCCCNCCOCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s9;s14;d15;s16;d17;s14s17;s19;s20;s21;s22;s23;s23;s16;s15;d27;s27;s29;d30;s31;d32;d29s33;s33;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H36N2O6
All Atoms:72
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:10.5804
Area:788.21
Solvation:-9.12483
Coulombic:-68.8547
Bond Count [?]
All:38
Single:29
Double:9
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:496.595
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:4.24
LogP (Chemaxon):-0.18

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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