10-[(2-fluorophenyl)methyl]-N-[2-(morpholin-4-yl)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2-fluorophenyl)methyl]-N-[2-(morpholin-4-yl)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2-fluorophenyl)methyl]-N-[2-(morpholin-4-yl)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-1145 |
| Compound Name: | 10-[(2-fluorophenyl)methyl]-N-[2-(morpholin-4-yl)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 523.58 |
| Molecular Formula: | C27 H26 F N3 O5 S |
| Smiles: | C(CN1CCOCC1)NC(c1ccc2c(c1)N(Cc1ccccc1F)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4474 |
| logD: | 2.4333 |
| logSw: | -3.1899 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.527 |
| InChI Key: | YPYOWCCAWHWCCO-UHFFFAOYSA-N |