Chemical ID: 7015755

CCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)Cl)Cl)CCN4CCOCC4)O
Chemical ID:
7015755
Name [?]:
5-(3,4-dichlorophenyl)-3-hydroxy-1-(2-morpholinoethyl)-4-(3-propoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)Cl)Cl)CCN4CCOCC4)O
InChi [?]:
InChI=1/C26H28Cl2N2O5/c1-2-12-35-19-5-3-4-18(15-19)24(31)22-23(17-6-7-20(27)21(28)16-17)30(26(33)25(22)32)9-8-29-10-13-34-14-11-29/h3-7,15-16,23,32H,2,8-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,8,6,20,21,28,27,30,34,3,31,33,10,24,19,9,5,22,23,13,18,11,14,15,26,25,29,17,12,35,16,32,4/E:(10,11)(13,14)/rA:35cCCCOCCCCCCCOCCCONCCCCCCCClClCCNCCOCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s23;s22;s17;s27;s28;s29;s30;s31;s32;s29s33;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H28Cl2N2O5
All Atoms:63
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:12.232
Area:769.975
Solvation:-7.01737
Coulombic:-64.242
Bond Count [?]
All:38
Single:29
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:519.416
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.59
LogP (Chemaxon):1.69

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue