N~2~-(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-N~2~-methylglycinamide
Chemical Structure Depiction of
N~2~-(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-N~2~-methylglycinamide
N~2~-(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-N~2~-methylglycinamide
Compound characteristics
| Compound ID: | K906-3998 |
| Compound Name: | N~2~-(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-N~2~-methylglycinamide |
| Molecular Weight: | 435.54 |
| Molecular Formula: | C21 H29 N3 O5 S |
| Smiles: | CC(N1CCOc2ccc(cc12)S(N(C)CC(NCCC1CCCCC=1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7781 |
| logD: | 1.7781 |
| logSw: | -2.7573 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.311 |
| InChI Key: | NZXYKADGTVOWPS-UHFFFAOYSA-N |