Chemical ID: 7389071

Cc1ccc(cc1)CN2C(c3c(=O)c4cc(c(cc4oc3C2=O)C)Cl)c5ccc(c(c5)OC)O
Chemical ID:
7389071
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)CN2C(c3c(=O)c4cc(c(cc4oc3C2=O)C)Cl)c5ccc(c(c5)OC)O
InChi [?]:
InChI=1/C27H22ClNO5/c1-14-4-6-16(7-5-14)13-29-24(17-8-9-20(30)22(11-17)33-3)23-25(31)18-12-19(28)15(2)10-21(18)34-26(23)27(29)32/h4-12,24,30H,13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,33,3,7,4,6,27,28,18,31,15,8,2,17,5,26,14,16,29,19,30,11,10,12,21,22,25,9,34,13,23,32,20/E:(4,5)(6,7)/rA:34cCCCCCCCCNCCCOCCCCCCOCCOCClCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s9s21;d22;s17;s16;s10;s26;d27;s28;d29;d26s30;s30;s32;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H22ClNO5
All Atoms:56
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:10.3694
Area:644.012
Solvation:-5.73087
Coulombic:-59.1252
Bond Count [?]
All:38
Single:26
Double:12
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:475.92
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.92
LogP (Chemaxon):5.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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