Chemical ID: 5285387

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)Cl)CCCOC(C)C
Chemical ID:
5285387
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)Cl)CCCOC(C)C
InChi [?]:
InChI=1/C24H24ClNO4/c1-14(2)29-12-4-11-26-21(16-6-8-17(25)9-7-16)20-22(27)18-13-15(3)5-10-19(18)30-23(20)24(26)28/h5-10,13-14,21H,4,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:29,30,1,25,3,18,22,19,21,4,24,26,7,28,2,17,20,6,5,10,16,8,11,13,23,15,9,14,27,12/E:(1,2)(6,7)(8,9)/rA:30cCCCCCCCCOCCOCONCCCCCCCClCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s20;s15;s24;s25;s26;s27;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H24ClNO4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.1269
Area:664.631
Solvation:-4.48891
Coulombic:-44.0775
Bond Count [?]
All:33
Single:24
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:425.904
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.53
LogP (Chemaxon):4.28

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Descriptor Annotations

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