3-benzoyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl pentanoate
Chemical Structure Depiction of
3-benzoyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl pentanoate
3-benzoyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl pentanoate
Compound characteristics
| Compound ID: | D239-0107 |
| Compound Name: | 3-benzoyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl pentanoate |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C23 H25 N O5 S |
| Smiles: | CCCCC(=O)OC1=C(C(c2ccccc2)=O)N(CCC)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8132 |
| logD: | 4.8132 |
| logSw: | -4.6217 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.761 |
| InChI Key: | WNYUYHMXEJJRAP-UHFFFAOYSA-N |