Chemical ID: 6614945

CCCCCOc1ccc(cc1)C2C(=C(C(=O)N2CCCN(CC)CC)O)C(=O)c3ccc(cc3)OCCC
Chemical ID:
6614945
Name [?]:
1-(3-diethylaminopropyl)-3-hydroxy-5-(4-pentoxyphenyl)-4-(4-propoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCCOc1ccc(cc1)C2C(=C(C(=O)N2CCCN(CC)CC)O)C(=O)c3ccc(cc3)OCCC
InChi [?]:
InChI=1/C32H44N2O5/c1-5-9-10-23-39-27-16-12-24(13-17-27)29-28(30(35)25-14-18-26(19-15-25)38-22-6-2)31(36)32(37)34(29)21-11-20-33(7-3)8-4/h12-19,29,36H,5-11,20-23H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,39,24,26,2,38,23,25,3,4,20,9,11,31,35,8,12,32,34,21,19,37,5,10,30,33,7,14,13,28,15,16,22,18,29,27,17,36,6/E:(3,4)(7,8)(12,13)(14,15)(16,17)(18,19)/rA:39cCCCCCOCCCCCCCCCCONCCCNCCCCOCOCCCCCCOCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;d14;s15;d16;s13s16;s18;s19;s20;s21;s22;s23;s22;s25;s15;s14;d28;s28;s30;d31;s32;d33;d30s34;s33;s36;s37;s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C32H44N2O5
All Atoms:39
Heavy Atoms:39
Chiral Atoms:1
ZAP Information [?]
Total:15.5709
Area:889.615
Solvation:-6.66948
Coulombic:-64.3716
Bond Count [?]
All:41
Single:32
Double:9
Rotors:17
Chiral:0
Rigid Segments:13
Chemical Properties
Molecular Weight:536.702
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:6.79
LogP (Chemaxon):1.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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