3-({5-[(3-fluorophenyl)methyl]-1,1,4-trioxo-1,3,4,5-tetrahydro-2H-1lambda~6~,2,5-benzothiadiazepin-2-yl}methyl)-4-methoxybenzaldehyde
Chemical Structure Depiction of
3-({5-[(3-fluorophenyl)methyl]-1,1,4-trioxo-1,3,4,5-tetrahydro-2H-1lambda~6~,2,5-benzothiadiazepin-2-yl}methyl)-4-methoxybenzaldehyde
3-({5-[(3-fluorophenyl)methyl]-1,1,4-trioxo-1,3,4,5-tetrahydro-2H-1lambda~6~,2,5-benzothiadiazepin-2-yl}methyl)-4-methoxybenzaldehyde
Compound characteristics
| Compound ID: | C201-1728 |
| Compound Name: | 3-({5-[(3-fluorophenyl)methyl]-1,1,4-trioxo-1,3,4,5-tetrahydro-2H-1lambda~6~,2,5-benzothiadiazepin-2-yl}methyl)-4-methoxybenzaldehyde |
| Molecular Weight: | 468.5 |
| Molecular Formula: | C24 H21 F N2 O5 S |
| Smiles: | COc1ccc(C=O)cc1CN1CC(N(Cc2cccc(c2)F)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3669 |
| logD: | 3.3669 |
| logSw: | -3.7135 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.062 |
| InChI Key: | MIUHASLQZBACAS-UHFFFAOYSA-N |