Chemical ID: 7015518

CCCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)OC)CCN(C)C)O
Chemical ID:
7015518
Name [?]:
4-(3-butoxybenzoyl)-1-(2-dimethylaminoethyl)-3-hydroxy-5-(4-methoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)OC)CCN(C)C)O
InChi [?]:
InChI=1/C26H32N2O5/c1-5-6-16-33-21-9-7-8-19(17-21)24(29)22-23(18-10-12-20(32-4)13-11-18)28(15-14-27(2)3)26(31)25(22)30/h7-13,17,23,30H,5-6,14-16H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,31,32,27,2,3,8,9,7,21,25,22,24,29,28,4,11,20,10,23,6,14,19,12,15,16,30,18,13,33,17,26,5/E:(2,3)(10,11)(12,13)/rA:33cCCCCOCCCCCCCOCCCONCCCCCCCOCCCNCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;d12;s12;d14;s15;d16;s16;s14s18;s19;s20;d21;s22;d23;d20s24;s23;s26;s18;s28;s29;s30;s30;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H32N2O5
All Atoms:65
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:11.3619
Area:728.633
Solvation:-6.85393
Coulombic:-62.9654
Bond Count [?]
All:35
Single:26
Double:9
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:452.543
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.23
LogP (Chemaxon):0.42

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Descriptor Annotations

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