Chemical ID: 6149247

Cc1ccc(c(c1)C(=O)C2=C(C(=O)N(C2c3ccccc3)CCCN(C)C)O)C
Chemical ID:
6149247
Name [?]:
1-(3-dimethylaminopropyl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-5-phenyl-5H-pyrrol-2-one
SMILES [?]:
Cc1ccc(c(c1)C(=O)C2=C(C(=O)N(C2c3ccccc3)CCCN(C)C)O)C
InChi [?]:
InChI=1/C24H28N2O3/c1-16-11-12-17(2)19(15-16)22(27)20-21(18-9-6-5-7-10-18)26(24(29)23(20)28)14-8-13-25(3)4/h5-7,9-12,15,21,28H,8,13-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,26,27,19,18,20,23,17,21,3,4,24,22,7,2,5,16,6,10,15,8,11,12,25,14,9,28,13/E:(3,4)(6,7)(9,10)/rA:29cCCCCCCCCOCCCONCCCCCCCCCCNCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s11;d12;s12;s10s14;s15;s16;d17;s18;d19;d16s20;s14;s22;s23;s24;s25;s25;s11;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H28N2O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:10.8261
Area:604.548
Solvation:-4.2876
Coulombic:-49.2502
Bond Count [?]
All:31
Single:22
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:392.491
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.28
LogP (Chemaxon):0.42

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