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Chemical ID: 7015717
Chemical ID:
7015717
Name [?]:
5-(3,4-dichlorophenyl)-4-(3-ethoxybenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)Cl)Cl)CCN4CCOCC4)O
InChi [?]:
InChI=1/C25H26Cl2N2O5/c1-2-34-18-5-3-4-17(14-18)23(30)21-22(16-6-7-19(26)20(27)15-16)29(25(32)24(21)31)9-8-28-10-12-33-13-11-28/h3-7,14-15,22,31H,2,8-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,7,5,19,20,27,26,29,33,30,32,9,23,18,8,4,21,22,12,17,10,13,14,25,24,28,16,11,34,15,31,3/E:(10,11)(12,13)/rA:34cCCOCCCCCCCOCCCONCCCCCCCClClCCNCCOCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;d10;s10;d12;s13;d14;s14;s12s16;s17;s18;d19;s20;d21;d18s22;s22;s21;s16;s26;s27;s28;s29;s30;s31;s28s32;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H26Cl2N2O5 |
All Atoms: | 60 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.5265 |
Area: | 742.111 |
Solvation: | -7.02624 |
Coulombic: | -63.7636 |
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: | 4.23 |
LogP (Chemaxon): | 1.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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