4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(pyrrolidine-1-carbonyl)-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(pyrrolidine-1-carbonyl)-2H-1,4-benzothiazin-3(4H)-one
4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(pyrrolidine-1-carbonyl)-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | F510-0099 |
| Compound Name: | 4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(pyrrolidine-1-carbonyl)-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C22 H27 N3 O5 S |
| Smiles: | C1CCN(C1)C(c1ccc2c(c1)N(CC(N1CCC3(CC1)OCCO3)=O)C(CS2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4102 |
| logD: | 0.4102 |
| logSw: | -2.0164 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.463 |
| InChI Key: | XYNDBPFQGMENRQ-UHFFFAOYSA-N |