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Chemical ID: 6149238
Chemical ID:
6149238
Name [?]:
1-(2-dimethylaminoethyl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(p-tolyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1ccc(cc1)C2C(=C(C(=O)N2CCN(C)C)O)C(=O)c3cc(ccc3C)C
InChi [?]:
InChI=1/C24H28N2O3/c1-15-7-10-18(11-8-15)21-20(22(27)19-14-16(2)6-9-17(19)3)23(28)24(29)26(21)13-12-25(4)5/h6-11,14,21,28H,12-13H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,29,28,17,18,25,3,7,26,4,6,15,14,23,2,24,27,5,22,9,8,20,10,11,16,13,21,19,12/E:(4,5)(7,8)(10,11)/rA:29cCCCCCCCCCCCONCCNCCOCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s8s11;s13;s14;s15;s16;s16;s10;s9;d20;s20;s22;d23;s24;d25;d22s26;s27;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H28N2O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.8693 |
Area: | 596.438 |
Solvation: | -4.04161 |
Coulombic: | -49.2722 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 392.491 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.36 |
LogP (Chemaxon): | 1.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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