Chemical ID: 4857503

CCCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCN(C)C)O)C(=O)c3ccc(cc3)Cl
Chemical ID:
4857503
Name [?]:
4-(4-chlorobenzoyl)-1-(2-dimethylaminoethyl)-3-hydroxy-5-(3-methoxy-4-propoxy-phenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCN(C)C)O)C(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C25H29ClN2O5/c1-5-14-33-19-11-8-17(15-20(19)32-4)22-21(23(29)16-6-9-18(26)10-7-16)24(30)25(31)28(22)13-12-27(2)3/h6-11,15,22,30H,5,12-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,22,23,12,2,28,32,7,29,31,6,20,19,3,9,27,8,30,5,10,14,13,25,15,16,33,21,18,26,24,17,11,4/E:(2,3)(6,7)(9,10)/rA:33cCCCOCCCCCCOCCCCCONCCNCCOCOCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;s13;d14;s15;d16;s13s16;s18;s19;s20;s21;s21;s15;s14;d25;s25;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H29ClN2O5
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:10.5932
Area:733.309
Solvation:-7.73949
Coulombic:-62.5017
Bond Count [?]
All:35
Single:26
Double:9
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:472.961
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.02
LogP (Chemaxon):0.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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