6-(azepane-1-sulfonyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2(3H)-one
6-(azepane-1-sulfonyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | K906-3007 |
| Compound Name: | 6-(azepane-1-sulfonyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 498.6 |
| Molecular Formula: | C25 H30 N4 O5 S |
| Smiles: | C1CCCN(CC1)S(c1ccc2c(c1)OC(N2CC(N1CCN(CC1)c1ccccc1)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8898 |
| logD: | 2.8898 |
| logSw: | -3.6352 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.762 |
| InChI Key: | AMQPLVKWCTXNPI-UHFFFAOYSA-N |