Chemical ID: 4897545

Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)CCCOC(C)C)c4cccc(c4)Cl
Chemical ID:
4897545
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)CCCOC(C)C)c4cccc(c4)Cl
InChi [?]:
InChI=1/C25H26ClNO4/c1-14(2)30-10-6-9-27-22(17-7-5-8-18(26)13-17)21-23(28)19-11-15(3)16(4)12-20(19)31-24(21)25(27)29/h5,7-8,11-14,22H,6,9-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:23,24,1,8,27,19,26,28,18,20,3,6,30,22,2,7,25,29,4,5,11,14,12,10,16,31,15,13,17,21,9/E:(1,2)/rA:31cCCCCCCCCOCCCOCNCOCCCOCCCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s4s11;d12;s11;s14;s10s15;d16;s15;s18;s19;s20;s21;s22;s22;s14;s25;d26;s27;d28;d25s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H26ClNO4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:12.2052
Area:667.63
Solvation:-4.48558
Coulombic:-43.8532
Bond Count [?]
All:34
Single:25
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:439.931
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.97
LogP (Chemaxon):4.75

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Experimental Annotations

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Descriptor Annotations

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