N-[1-(adamantan-1-yl)ethyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)ethyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
N-[1-(adamantan-1-yl)ethyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
Compound characteristics
| Compound ID: | C700-0945 |
| Compound Name: | N-[1-(adamantan-1-yl)ethyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide |
| Molecular Weight: | 501.64 |
| Molecular Formula: | C26 H35 N3 O5 S |
| Smiles: | [H][C@]12CC3(C[C@]([H])(C1)C[C@@]([H])(C3)C2)C(C)NC(CN1C(COc2ccc(cc12)S(N1CCCC1)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3422 |
| logD: | 3.3422 |
| logSw: | -3.9582 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.813 |
| InChI Key: | IMEJDNIERWRPTG-BALBBAFXSA-N |