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Chemical ID: 4836407
Chemical ID:
4836407
Name [?]:
1-(3-dimethylaminopropyl)-3-hydroxy-4-(3-methoxybenzoyl)-5-(p-tolyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1ccc(cc1)C2C(=C(C(=O)N2CCCN(C)C)O)C(=O)c3cccc(c3)OC
InChi [?]:
InChI=1/C24H28N2O4/c1-16-9-11-17(12-10-16)21-20(22(27)18-7-5-8-19(15-18)30-4)23(28)24(29)26(21)14-6-13-25(2)3/h5,7-12,15,21,28H,6,13-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,18,19,30,25,15,24,26,3,7,4,6,16,14,28,2,5,23,27,9,8,21,10,11,17,13,22,20,12,29/E:(2,3)(9,10)(11,12)/rA:30cCCCCCCCCCCCONCCCNCCOCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s8s11;s13;s14;s15;s16;s17;s17;s10;s9;d21;s21;s23;d24;s25;d26;d23s27;s27;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H28N2O4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.0376 |
Area: | 662.317 |
Solvation: | -5.5203 |
Coulombic: | -55.5857 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 408.49 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.76 |
LogP (Chemaxon): | -0.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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