10-benzyl-N-(butan-2-yl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-benzyl-N-(butan-2-yl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-benzyl-N-(butan-2-yl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-1895 |
| Compound Name: | 10-benzyl-N-(butan-2-yl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C25 H24 N2 O4 S |
| Smiles: | CCC(C)NC(c1ccc2c(c1)N(Cc1ccccc1)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5145 |
| logD: | 3.5145 |
| logSw: | -3.87 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.507 |
| InChI Key: | JNRBPVZWMPUNRF-KRWDZBQOSA-N |