Chemical ID: 7023654

CCCCCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCN(CC)CC)O)C(=O)c3ccc(cc3)Cl
Chemical ID:
7023654
Name [?]:
4-(4-chlorobenzoyl)-1-(2-diethylaminoethyl)-3-hydroxy-5-(3-methoxy-4-pentoxy-phenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCN(CC)CC)O)C(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C29H37ClN2O5/c1-5-8-9-18-37-23-15-12-21(19-24(23)36-4)26-25(27(33)20-10-13-22(30)14-11-20)28(34)29(35)32(26)17-16-31(6-2)7-3/h10-15,19,26,34H,5-9,16-18H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,25,27,14,2,24,26,3,4,32,36,9,33,35,8,22,21,5,11,31,10,34,7,12,16,15,29,17,18,37,23,20,30,28,19,13,6/E:(2,3)(6,7)(10,11)(13,14)/rA:37cCCCCCOCCCCCCOCCCCCONCCNCCCCOCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s10;s15;d16;s17;d18;s15s18;s20;s21;s22;s23;s24;s23;s26;s17;s16;d29;s29;s31;d32;s33;d34;d31s35;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H37ClN2O5
All Atoms:74
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:13.0417
Area:829.787
Solvation:-7.70292
Coulombic:-63.482
Bond Count [?]
All:39
Single:30
Double:9
Rotors:14
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:529.067
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:6.0
LogP (Chemaxon):1.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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