Chemical ID: 4725613

c1cc2c(cc1Br)cc(c(=O)o2)C(=O)NCCN3CCCCC3
Chemical ID:
4725613
Name [?]:
6-bromo-2-oxo-N-[2-(1-piperidyl)ethyl]chromene-3-carboxamide
SMILES [?]:
c1cc2c(cc1Br)cc(c(=O)o2)C(=O)NCCN3CCCCC3
InChi [?]:
InChI=1/C17H19BrN2O3/c18-13-4-5-15-12(10-13)11-14(17(22)23-15)16(21)19-6-9-20-7-2-1-3-8-20/h4-5,10-11H,1-3,6-9H2,(H,19,21)
InChi Info:
AuxInfo=1/1/N:21,20,22,1,2,16,19,23,17,5,8,4,6,9,3,13,10,7,15,18,14,11,12/E:(2,3)(7,8)/rA:23nCCCCCCBrCCCOOCONCCNCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s9;d10;s3s10;s9;d13;s13;s15;s16;s17;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19BrN2O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.45372
Area:540.876
Solvation:-4.06817
Coulombic:-44.2468
Bond Count [?]
All:25
Single:19
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:379.248
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.61
LogP (Chemaxon):2.22

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