Chemical ID: 4897710

CC(C)c1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCCOC(C)C)Cl
Chemical ID:
4897710
Name [?]:
None
SMILES [?]:
CC(C)c1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCCOC(C)C)Cl
InChi [?]:
InChI=1/C26H28ClNO4/c1-15(2)17-6-8-18(9-7-17)23-22-24(29)20-14-19(27)10-11-21(20)32-25(22)26(30)28(23)12-5-13-31-16(3)4/h6-11,14-16,23H,5,12-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,30,31,26,5,9,6,8,17,18,25,27,15,2,29,4,7,16,14,19,11,10,12,21,22,32,24,13,23,28,20/E:(1,2)(3,4)(6,7)(8,9)/rA:32cCCCCCCCCCCCCOCCCCCCOCCONCCCOCCCCl/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s21;d22;s10s22;s24;s25;s26;s27;s28;s29;s29;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H28ClNO4
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:13.1784
Area:707.995
Solvation:-4.5215
Coulombic:-44.1902
Bond Count [?]
All:35
Single:26
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:453.958
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.5
LogP (Chemaxon):5.01

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Descriptor Annotations

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