6-{4-[3-(dimethylamino)benzoyl]piperazine-1-sulfonyl}-3-(propan-2-yl)-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-{4-[3-(dimethylamino)benzoyl]piperazine-1-sulfonyl}-3-(propan-2-yl)-1,3-benzoxazol-2(3H)-one
6-{4-[3-(dimethylamino)benzoyl]piperazine-1-sulfonyl}-3-(propan-2-yl)-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | L694-0355 |
| Compound Name: | 6-{4-[3-(dimethylamino)benzoyl]piperazine-1-sulfonyl}-3-(propan-2-yl)-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 472.56 |
| Molecular Formula: | C23 H28 N4 O5 S |
| Smiles: | CC(C)N1C(=O)Oc2cc(ccc12)S(N1CCN(CC1)C(c1cccc(c1)N(C)C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6324 |
| logD: | 2.6324 |
| logSw: | -3.2071 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.031 |
| InChI Key: | QDCADPOKAWGKOV-UHFFFAOYSA-N |