Chemical ID: 4567985

CC1Cc2cc(ccc2O1)C(=O)C3=C(C(=O)N(C3c4cccc(c4)OC)CCc5ccccc5)O
Chemical ID:
4567985
Name [?]:
3-hydroxy-5-(3-methoxyphenyl)-4-[(2-methyl-2,3-dihydrobenzofuran-5-yl)carbonyl]-1-phenethyl-5H-pyrrol-2-one
SMILES [?]:
CC1Cc2cc(ccc2O1)C(=O)C3=C(C(=O)N(C3c4cccc(c4)OC)CCc5ccccc5)O
InChi [?]:
InChI=1/C29H27NO5/c1-18-15-22-16-21(11-12-24(22)35-18)27(31)25-26(20-9-6-10-23(17-20)34-2)30(29(33)28(25)32)14-13-19-7-4-3-5-8-19/h3-12,16-18,26,32H,13-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,32,31,33,21,30,34,20,22,7,8,28,27,3,5,24,2,29,19,6,4,23,9,13,18,11,14,15,17,12,35,16,25,10/E:(4,5)(7,8)/rA:35cCCCCCCCCCOCOCCCONCCCCCCCOCCCCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2s9;s6;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s23;s25;s17;s27;s28;s29;d30;s31;d32;d29s33;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H27NO5
All Atoms:35
Heavy Atoms:35
Chiral Atoms:2
ZAP Information [?]
Total:11.8205
Area:723.8
Solvation:-6.27447
Coulombic:-59.2925
Bond Count [?]
All:39
Single:27
Double:12
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:469.528
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.2
LogP (Chemaxon):4.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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