N-[(2H-1,3-benzodioxol-5-yl)methyl]-1,4,11-trimethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1,4,11-trimethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1,4,11-trimethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C700-0892 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1,4,11-trimethyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 430.52 |
| Molecular Formula: | C25 H22 N2 O3 S |
| Smiles: | CC1c2c(C)ccc(C)c2Sc2ccc(cc2N=1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2373 |
| logD: | 5.2369 |
| logSw: | -5.1815 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.029 |
| InChI Key: | MRSKPUSZWSXGEU-UHFFFAOYSA-N |