6-{4-[(2-methylphenyl)acetyl]piperazine-1-sulfonyl}-3-(propan-2-yl)-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-{4-[(2-methylphenyl)acetyl]piperazine-1-sulfonyl}-3-(propan-2-yl)-1,3-benzoxazol-2(3H)-one
6-{4-[(2-methylphenyl)acetyl]piperazine-1-sulfonyl}-3-(propan-2-yl)-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | L694-0411 |
| Compound Name: | 6-{4-[(2-methylphenyl)acetyl]piperazine-1-sulfonyl}-3-(propan-2-yl)-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C23 H27 N3 O5 S |
| Smiles: | CC(C)N1C(=O)Oc2cc(ccc12)S(N1CCN(CC1)C(Cc1ccccc1C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.435 |
| logD: | 3.435 |
| logSw: | -3.9823 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.699 |
| InChI Key: | MBOCJKNFSKICTQ-UHFFFAOYSA-N |