(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
Formula:C19H16N3O5BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate is a drug-like molecule.
| MolName | (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate |
| MolecularFormula | C19H16N3O5BrS |
| Smiles | O=C(CNS(/C=C/c1ccccc1)(=O)=O)OCC(N=C(C=C1)N2C=C1Br)=CC2=O |
| InChI | InChI=1S/C19H16BrN3O5S/c20-15-6-7-17-22-16(10-18(24)23(17)12-15)13-28-19(25)11-21-29(26,27)9-8-14-4-2-1-3-5-14/h1-10,12,21H,11,13H2 |
| InChIK | NSDJXZQNOZSGQY-UHFFFAOYSA-N |
| TotalMolweight | 478.322 |
| Molweight | 478.322 |
| MonoisotopicMass | 476.999403 |
| CLogP | 0.8946 |
| CLogS | -4.326 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 313.64 |
| Relative PSA | 0.29072 |
| PolarSurfaceArea | 113.52 |
| Druglikeness | -5.4161 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Amides | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate | 2 - (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
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