N-{3-[bis(2-methylpropyl)amino]propyl}-4-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
N-{3-[bis(2-methylpropyl)amino]propyl}-4-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
N-{3-[bis(2-methylpropyl)amino]propyl}-4-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | K784-8550 |
| Compound Name: | N-{3-[bis(2-methylpropyl)amino]propyl}-4-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 520.11 |
| Molecular Formula: | C27 H35 Cl F N3 O2 S |
| Smiles: | CC(C)CN(CCCNC(c1ccc2c(c1)N(Cc1c(cccc1[Cl])F)C(CS2)=O)=O)CC(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.4191 |
| logD: | 2.6237 |
| logSw: | -5.8955 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.107 |
| InChI Key: | CMEDZEUOZMDAQZ-UHFFFAOYSA-N |