Chemical ID: 7015223

CCCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)OC)CCOC)O
Chemical ID:
7015223
Name [?]:
4-(3-butoxybenzoyl)-3-hydroxy-1-(2-methoxyethyl)-5-(4-methoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)OC)CCOC)O
InChi [?]:
InChI=1/C25H29NO6/c1-4-5-14-32-20-8-6-7-18(16-20)23(27)21-22(17-9-11-19(31-3)12-10-17)26(13-15-30-2)25(29)24(21)28/h6-12,16,22,28H,4-5,13-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,31,27,2,3,8,9,7,21,25,22,24,28,4,29,11,20,10,23,6,14,19,12,15,16,18,13,32,17,30,26,5/E:(9,10)(11,12)/rA:32cCCCCOCCCCCCCOCCCONCCCCCCCOCCCOCO/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;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H29NO6
All Atoms:61
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:10.0489
Area:694.461
Solvation:-7.31261
Coulombic:-66.0827
Bond Count [?]
All:34
Single:25
Double:9
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:439.501
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.19
LogP (Chemaxon):2.76

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Descriptor Annotations

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