10-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-1275 |
| Compound Name: | 10-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 482.53 |
| Molecular Formula: | C25 H23 F N2 O5 S |
| Smiles: | COCCCNC(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9561 |
| logD: | 2.9561 |
| logSw: | -3.6873 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.25 |
| InChI Key: | YSRDVFTUPKZUDK-UHFFFAOYSA-N |