N-(butan-2-yl)-10-[(2-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-(butan-2-yl)-10-[(2-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-(butan-2-yl)-10-[(2-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-0707 |
| Compound Name: | N-(butan-2-yl)-10-[(2-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 450.53 |
| Molecular Formula: | C25 H23 F N2 O3 S |
| Smiles: | CCC(C)NC(c1ccc2c(c1)N(Cc1ccccc1F)C(c1ccccc1S2=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5253 |
| logD: | 3.5253 |
| logSw: | -3.8483 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.911 |
| InChI Key: | CEHKPUVQRBPKOS-UHFFFAOYSA-N |