N-[3-(cyclohexylsulfanyl)propyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
Chemical Structure Depiction of
N-[3-(cyclohexylsulfanyl)propyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
N-[3-(cyclohexylsulfanyl)propyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
Compound characteristics
| Compound ID: | C534-0562 |
| Compound Name: | N-[3-(cyclohexylsulfanyl)propyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide |
| Molecular Weight: | 495.66 |
| Molecular Formula: | C23 H33 N3 O5 S2 |
| Smiles: | C1CCC(CC1)SCCCNC(CN1C(COc2ccc(cc12)S(N1CCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6802 |
| logD: | 2.6802 |
| logSw: | -3.2706 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.65 |
| InChI Key: | ZCDKQFSHTAIOSH-UHFFFAOYSA-N |