N-[(4-methoxyphenyl)methyl]-1,4,11-trimethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-1,4,11-trimethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[(4-methoxyphenyl)methyl]-1,4,11-trimethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C700-0837 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-1,4,11-trimethyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C25 H24 N2 O2 S |
| Smiles: | CC1c2c(C)ccc(C)c2Sc2ccc(cc2N=1)C(NCc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3066 |
| logD: | 5.3062 |
| logSw: | -5.4459 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.457 |
| InChI Key: | DUOOTMIPVTVFCU-UHFFFAOYSA-N |