Chemical ID: 4572644

CC1Cc2cc(ccc2O1)C(=O)C3=C(C(=O)N(C3c4ccc(cc4)OC)CCOC)O
Chemical ID:
4572644
Name [?]:
3-hydroxy-1-(2-methoxyethyl)-5-(4-methoxyphenyl)-4-[(2-methyl-2,3-dihydrobenzofuran-5-yl)carbonyl]-5H-pyrrol-2-one
SMILES [?]:
CC1Cc2cc(ccc2O1)C(=O)C3=C(C(=O)N(C3c4ccc(cc4)OC)CCOC)O
InChi [?]:
InChI=1/C24H25NO6/c1-14-12-17-13-16(6-9-19(17)31-14)22(26)20-21(15-4-7-18(30-3)8-5-15)25(10-11-29-2)24(28)23(20)27/h4-9,13-14,21,27H,10-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,30,26,20,24,7,21,23,8,27,28,3,5,2,19,6,4,22,9,13,18,11,14,15,17,12,31,16,29,25,10/E:(4,5)(7,8)/rA:31cCCCCCCCCCOCOCCCONCCCCCCCOCCCOCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2s9;s6;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s22;s25;s17;s27;s28;s29;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H25NO6
All Atoms:31
Heavy Atoms:31
Chiral Atoms:2
ZAP Information [?]
Total:9.1554
Area:646.02
Solvation:-6.99511
Coulombic:-65.3073
Bond Count [?]
All:34
Single:25
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:423.458
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.14
LogP (Chemaxon):1.95

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