10-[(4-fluorophenyl)methyl]-5,5,11-trioxo-N,N-dipropyl-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(4-fluorophenyl)methyl]-5,5,11-trioxo-N,N-dipropyl-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(4-fluorophenyl)methyl]-5,5,11-trioxo-N,N-dipropyl-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-1190 |
| Compound Name: | 10-[(4-fluorophenyl)methyl]-5,5,11-trioxo-N,N-dipropyl-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 494.58 |
| Molecular Formula: | C27 H27 F N2 O4 S |
| Smiles: | CCCN(CCC)C(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3736 |
| logD: | 4.3736 |
| logSw: | -4.2243 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.82 |
| InChI Key: | KMXFZCGCFWWYNA-UHFFFAOYSA-N |