Chemical ID: 4312197

CCCCC(=O)N1c2ccccc2NC3=C(C1c4ccccc4Cl)C(=O)CC(C3)(C)C
Chemical ID:
4312197
Name [?]:
None
SMILES [?]:
CCCCC(=O)N1c2ccccc2NC3=C(C1c4ccccc4Cl)C(=O)CC(C3)(C)C
InChi [?]:
InChI=1/C26H29ClN2O2/c1-4-5-14-23(31)29-21-13-9-8-12-19(21)28-20-15-26(2,3)16-22(30)24(20)25(29)17-10-6-7-11-18(17)27/h6-13,25,28H,4-5,14-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,30,31,2,3,20,21,11,10,19,22,12,9,4,29,27,18,23,13,15,8,25,5,16,17,28,24,14,7,26,6/E:(2,3)/rA:31cCCCCCONCCCCCCNCCCCCCCCCClCOCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;s14;d15;s7s16;s17;s18;d19;s20;d21;d18s22;s23;s16;d25;s25;s27;s15s28;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H29ClN2O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.9997
Area:603.37
Solvation:-3.08451
Coulombic:-36.9615
Bond Count [?]
All:34
Single:25
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:436.973
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.85
LogP (Chemaxon):5.16

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Descriptor Annotations

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