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Chemical ID: 4817679
Chemical ID:
4817679
Name [?]:
5-(2,4-dichlorophenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1-(3-morpholinopropyl)-5H-pyrrol-2-one
SMILES [?]:
COc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3Cl)Cl)CCCN4CCOCC4)O
InChi [?]:
InChI=1/C25H26Cl2N2O5/c1-33-18-6-3-16(4-7-18)23(30)21-22(19-8-5-17(26)15-20(19)27)29(25(32)24(21)31)10-2-9-28-11-13-34-14-12-28/h3-8,15,22,31H,2,9-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,26,5,7,19,4,8,18,27,25,29,33,30,32,21,6,20,3,17,22,11,16,9,12,13,24,23,28,15,10,34,14,2,31/E:(3,4)(6,7)(11,12)(13,14)/rA:34cCOCCCCCCCOCCCONCCCCCCCClClCCCNCCOCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;d11;s12;d13;s13;s11s15;s16;s17;d18;s19;d20;d17s21;s22;s20;s15;s25;s26;s27;s28;s29;s30;s31;s28s32;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H26Cl2N2O5 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.7536 |
Area: | 729.902 |
Solvation: | -6.49396 |
Coulombic: | -64.1188 |
Bond Count [?]
All: | 37 |
Single: | 28 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 505.39 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 4.17 |
LogP (Chemaxon): | 0.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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