N-[3-(butylsulfanyl)propyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
Chemical Structure Depiction of
N-[3-(butylsulfanyl)propyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
N-[3-(butylsulfanyl)propyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
Compound characteristics
| Compound ID: | C534-0561 |
| Compound Name: | N-[3-(butylsulfanyl)propyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide |
| Molecular Weight: | 469.62 |
| Molecular Formula: | C21 H31 N3 O5 S2 |
| Smiles: | CCCCSCCCNC(CN1C(COc2ccc(cc12)S(N1CCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1289 |
| logD: | 2.1289 |
| logSw: | -3.0223 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.73 |
| InChI Key: | IJUZCXQZLWQGNU-UHFFFAOYSA-N |