2-[6-(1,5-diazocane-1-sulfonyl)-2-oxo-1,3-benzoxazol-3(2H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-[6-(1,5-diazocane-1-sulfonyl)-2-oxo-1,3-benzoxazol-3(2H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
2-[6-(1,5-diazocane-1-sulfonyl)-2-oxo-1,3-benzoxazol-3(2H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | K906-4784 |
| Compound Name: | 2-[6-(1,5-diazocane-1-sulfonyl)-2-oxo-1,3-benzoxazol-3(2H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide |
| Molecular Weight: | 532.62 |
| Molecular Formula: | C25 H32 N4 O7 S |
| Smiles: | COc1ccc(CCNC(CN2C(=O)Oc3cc(ccc23)S(N2CCCNCCC2)(=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 0.0279 |
| logD: | -2.7124 |
| logSw: | -2.5505 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.643 |
| InChI Key: | PXPAKSZVWAZUSU-UHFFFAOYSA-N |