Chemical ID: 4863563

Cc1cccc(c1)COc2ccc(cc2)C(=O)C3=C(C(=O)N(C3c4ccc(cc4)C(C)C)CCCOC)O
Chemical ID:
4863563
Name [?]:
3-hydroxy-5-(4-isopropylphenyl)-1-(3-methoxypropyl)-4-[4-(m-tolylmethoxy)benzoyl]-5H-pyrrol-2-one
SMILES [?]:
Cc1cccc(c1)COc2ccc(cc2)C(=O)C3=C(C(=O)N(C3c4ccc(cc4)C(C)C)CCCOC)O
InChi [?]:
InChI=1/C32H35NO5/c1-21(2)24-9-11-25(12-10-24)29-28(31(35)32(36)33(29)17-6-18-37-4)30(34)26-13-15-27(16-14-26)38-20-23-8-5-7-22(3)19-23/h5,7-16,19,21,29,35H,6,17-18,20H2,1-4H3
InChi Info:
AuxInfo=1/0/N:31,32,1,37,4,34,3,5,26,28,25,29,12,14,11,15,33,35,7,8,30,2,6,27,24,13,10,18,23,16,19,20,22,17,38,21,36,9/E:(1,2)(9,10)(11,12)(13,14)(15,16)/rA:38cCCCCCCCCOCCCCCCCOCCCONCCCCCCCCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;d16;s16;d18;s19;d20;s20;s18s22;s23;s24;d25;s26;d27;d24s28;s27;s30;s30;s22;s33;s34;s35;s36;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C32H35NO5
All Atoms:38
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:13.6605
Area:820.782
Solvation:-6.85906
Coulombic:-60.8011
Bond Count [?]
All:41
Single:29
Double:12
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:513.624
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:6.83
LogP (Chemaxon):5.3

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Descriptor Annotations

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