3-chloro-N-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-chloro-N-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1-benzothiophene-2-carboxamide
3-chloro-N-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | D519-0470 |
| Compound Name: | 3-chloro-N-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 398.87 |
| Molecular Formula: | C20 H15 Cl N2 O3 S |
| Smiles: | [H]N(C(c1c(c2ccccc2s1)[Cl])=O)c1ccc2c(c1)N(CC=C)C(CO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.234 |
| logD: | 4.2298 |
| logSw: | -4.7035 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.156 |
| InChI Key: | DBLYCFLRADWEIE-UHFFFAOYSA-N |