4-[(3-chlorophenyl)methyl]-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
4-[(3-chlorophenyl)methyl]-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2H-1,4-benzothiazin-3(4H)-one
4-[(3-chlorophenyl)methyl]-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | C122-0400 |
| Compound Name: | 4-[(3-chlorophenyl)methyl]-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 458.96 |
| Molecular Formula: | C23 H23 Cl N2 O4 S |
| Smiles: | C1CN(CCC12OCCO2)C(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(CS2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0186 |
| logD: | 3.0186 |
| logSw: | -3.541 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.704 |
| InChI Key: | YALCNKJJZATNQD-UHFFFAOYSA-N |