Chemical ID: 7080153

CN(C)CCCN1C(c2c(=O)c3cc(ccc3oc2C1=O)Cl)c4cccc(c4)OCC=C
Chemical ID:
7080153
Name [?]:
None
SMILES [?]:
CN(C)CCCN1C(c2c(=O)c3cc(ccc3oc2C1=O)Cl)c4cccc(c4)OCC=C
InChi [?]:
InChI=1/C25H25ClN2O4/c1-4-13-31-18-8-5-7-16(14-18)22-21-23(29)19-15-17(26)9-10-20(19)32-24(21)25(30)28(22)12-6-11-27(2)3/h4-5,7-10,14-15,22H,1,6,11-13H2,2-3H3
InChi Info:
AuxInfo=1/0/N:32,1,3,31,25,5,24,26,15,16,4,6,30,28,13,23,14,27,12,17,9,8,10,19,20,22,2,7,11,21,29,18/E:(2,3)/rA:32cCNCCCCNCCCOCCCCCCOCCOClCCCCCCOCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s7s19;d20;s14;s8;s23;d24;s25;d26;d23s27;s27;s29;s30;d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H25ClN2O4
All Atoms:57
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:12.5986
Area:702.501
Solvation:-4.96395
Coulombic:-48.9099
Bond Count [?]
All:35
Single:25
Double:10
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:452.93
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.78
LogP (Chemaxon):3.69

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Descriptor Annotations

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