methyl 3-({5-[(4-fluorophenyl)methyl]-1,1,4-trioxo-1,3,4,5-tetrahydro-2H-1lambda~6~,2,5-benzothiadiazepin-2-yl}methyl)-4-methoxybenzoate
Chemical Structure Depiction of
methyl 3-({5-[(4-fluorophenyl)methyl]-1,1,4-trioxo-1,3,4,5-tetrahydro-2H-1lambda~6~,2,5-benzothiadiazepin-2-yl}methyl)-4-methoxybenzoate
methyl 3-({5-[(4-fluorophenyl)methyl]-1,1,4-trioxo-1,3,4,5-tetrahydro-2H-1lambda~6~,2,5-benzothiadiazepin-2-yl}methyl)-4-methoxybenzoate
Compound characteristics
| Compound ID: | L051-0016 |
| Compound Name: | methyl 3-({5-[(4-fluorophenyl)methyl]-1,1,4-trioxo-1,3,4,5-tetrahydro-2H-1lambda~6~,2,5-benzothiadiazepin-2-yl}methyl)-4-methoxybenzoate |
| Molecular Weight: | 498.53 |
| Molecular Formula: | C25 H23 F N2 O6 S |
| Smiles: | COC(c1ccc(c(CN2CC(N(Cc3ccc(cc3)F)c3ccccc3S2(=O)=O)=O)c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.877 |
| logD: | 3.877 |
| logSw: | -4.0262 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 76.077 |
| InChI Key: | PUVJDBWFGPXYLD-UHFFFAOYSA-N |