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Chemical ID: 6612913
Chemical ID:
6612913
Name [?]:
1-(3-dimethylaminopropyl)-4-(4-ethoxy-2-methyl-benzoyl)-3-hydroxy-5-(4-methoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1ccc(c(c1)C)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)OC)CCCN(C)C)O
InChi [?]:
InChI=1/C26H32N2O5/c1-6-33-20-12-13-21(17(2)16-20)24(29)22-23(18-8-10-19(32-5)11-9-18)28(26(31)25(22)30)15-7-14-27(3)4/h8-13,16,23,30H,6-7,14-15H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,10,31,32,26,2,28,20,24,21,23,5,6,29,27,9,8,19,22,4,7,13,18,11,14,15,30,17,12,33,16,25,3/E:(3,4)(8,9)(10,11)/rA:33cCCOCCCCCCCCOCCCONCCCCCCCOCCCCNCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s7;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s22;s25;s17;s27;s28;s29;s30;s30;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H32N2O5 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.174 |
Area: | 682.633 |
Solvation: | -6.89178 |
Coulombic: | -61.9081 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 452.543 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 4.1 |
LogP (Chemaxon): | -0.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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