N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-chloro-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-chloro-1-benzothiophene-2-carboxamide
N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-chloro-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | D519-0427 |
| Compound Name: | N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-chloro-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 414.91 |
| Molecular Formula: | C21 H19 Cl N2 O3 S |
| Smiles: | [H]N(C(c1c(c2ccccc2s1)[Cl])=O)c1ccc2c(c1)N(CCCC)C(CO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9259 |
| logD: | 4.9184 |
| logSw: | -4.9974 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.156 |
| InChI Key: | SQYSZZMNURNMKC-UHFFFAOYSA-N |