N-[(2H-1,3-benzodioxol-5-yl)methyl]-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-0138 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C23 H18 N2 O3 S |
| Smiles: | CC1c2ccccc2Sc2ccc(cc2N=1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5493 |
| logD: | 4.5491 |
| logSw: | -4.3469 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.029 |
| InChI Key: | XPCKEUJSQHKPCZ-UHFFFAOYSA-N |