butyl 4-(6-chloro-2-cyano-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl)benzoate
Chemical Structure Depiction of
butyl 4-(6-chloro-2-cyano-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl)benzoate
butyl 4-(6-chloro-2-cyano-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl)benzoate
Compound characteristics
| Compound ID: | L807-0337 |
| Compound Name: | butyl 4-(6-chloro-2-cyano-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl)benzoate |
| Molecular Weight: | 416.88 |
| Molecular Formula: | C20 H17 Cl N2 O4 S |
| Smiles: | CCCCOC(c1ccc(cc1)N1C=C(C#N)S(c2ccc(cc12)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2003 |
| logD: | 4.2003 |
| logSw: | -4.483 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.054 |
| InChI Key: | NTTNTDPTLSEOFL-UHFFFAOYSA-N |