2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-1361 |
| Compound Name: | 2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 464.97 |
| Molecular Formula: | C25 H21 Cl N2 O3 S |
| Smiles: | CC(c1ccc2c(c1)OCCO2)NC(c1ccc2c(c1)N=C(C)c1cc(ccc1S2)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0221 |
| logD: | 5.022 |
| logSw: | -5.018 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.9 |
| InChI Key: | IXBOVBIWPJXWMP-AWEZNQCLSA-N |