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Chemical ID: 4725613
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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