6-(azepane-1-sulfonyl)-3-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-3-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-1,3-benzoxazol-2(3H)-one
6-(azepane-1-sulfonyl)-3-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | K906-3022 |
| Compound Name: | 6-(azepane-1-sulfonyl)-3-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 499.59 |
| Molecular Formula: | C24 H29 N5 O5 S |
| Smiles: | C1CCCN(CC1)S(c1ccc2c(c1)OC(N2CC(N1CCN(CC1)c1ccccn1)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5574 |
| logD: | 2.5486 |
| logSw: | -3.0724 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.273 |
| InChI Key: | XSWMBWJXTXSIBC-UHFFFAOYSA-N |