Chemical ID: 5684810

CCCCCC(=O)N1c2ccccc2N=C3CC(CC(=C3C1c4cccc(c4Cl)Cl)O)(C)C
Chemical ID:
5684810
Name [?]:
None
SMILES [?]:
CCCCCC(=O)N1c2ccccc2N=C3CC(CC(=C3C1c4cccc(c4Cl)Cl)O)(C)C
InChi [?]:
InChI=1/C27H30Cl2N2O2/c1-4-5-6-14-23(33)31-21-13-8-7-12-19(21)30-20-15-27(2,3)16-22(32)24(20)26(31)17-10-9-11-18(28)25(17)29/h7-13,26,32H,4-6,14-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,32,33,2,3,4,12,11,25,24,26,13,10,5,17,19,23,27,14,16,9,20,6,21,28,22,18,30,29,15,8,31,7/E:(2,3)/rA:33cCCCCCCONCCCCCCNCCCCCCCCCCCCCClClOCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;d15;s16;s17;s18;s19;s16d20;s8s21;s22;s23;d24;s25;d26;d23s27;s28;s27;s20;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H30Cl2N2O2
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:13.9148
Area:665.127
Solvation:-2.71338
Coulombic:-40.492
Bond Count [?]
All:36
Single:27
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:485.445
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.7
LogP (Chemaxon):6.72

Name Annotations

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Descriptor Annotations

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