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Chemical ID: 7033993
Chemical ID:
7033993
Name [?]:
3-hydroxy-1-(3-morpholinopropyl)-4-(4-propoxybenzoyl)-5-(3-propoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)OCCC)CCCN4CCOCC4)O
InChi [?]:
InChI=1/C30H38N2O6/c1-3-17-37-24-11-9-22(10-12-24)28(33)26-27(23-7-5-8-25(21-23)38-18-4-2)32(30(35)29(26)34)14-6-13-31-15-19-36-20-16-31/h5,7-12,21,27,34H,3-4,6,13-20H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,2,27,21,30,20,22,7,9,6,10,31,29,33,37,3,26,34,36,24,8,19,5,23,13,18,11,14,15,32,17,12,38,16,35,4,25/E:(9,10)(11,12)(15,16)(19,20)/rA:38cCCCOCCCCCCCOCCCONCCCCCCCOCCCCCCNCCOCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s23;s25;s26;s27;s17;s29;s30;s31;s32;s33;s34;s35;s32s36;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H38N2O6 |
All Atoms: | 76 |
Heavy Atoms: | 38 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.8196 |
Area: | 829.304 |
Solvation: | -7.91298 |
Coulombic: | -71.3447 |
Bond Count [?]
All: | 41 |
Single: | 32 |
Double: | 9 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 522.633 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 4.4 |
LogP (Chemaxon): | 1.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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