3-(propan-2-yl)-6-{4-[3-(thiophen-2-yl)prop-2-enoyl]piperazine-1-sulfonyl}-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-(propan-2-yl)-6-{4-[3-(thiophen-2-yl)prop-2-enoyl]piperazine-1-sulfonyl}-1,3-benzoxazol-2(3H)-one
3-(propan-2-yl)-6-{4-[3-(thiophen-2-yl)prop-2-enoyl]piperazine-1-sulfonyl}-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | L694-0433 |
| Compound Name: | 3-(propan-2-yl)-6-{4-[3-(thiophen-2-yl)prop-2-enoyl]piperazine-1-sulfonyl}-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 461.56 |
| Molecular Formula: | C21 H23 N3 O5 S2 |
| Smiles: | CC(C)N1C(=O)Oc2cc(ccc12)S(N1CCN(CC1)C(/C=C/c1cccs1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5592 |
| logD: | 2.5592 |
| logSw: | -2.9788 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.717 |
| InChI Key: | OLFDTTPREQHPAG-UHFFFAOYSA-N |