N-[(4-methoxyphenyl)methyl]-11-oxo-10-(prop-2-en-1-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-11-oxo-10-(prop-2-en-1-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[(4-methoxyphenyl)methyl]-11-oxo-10-(prop-2-en-1-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K784-7771 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-11-oxo-10-(prop-2-en-1-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 430.52 |
| Molecular Formula: | C25 H22 N2 O3 S |
| Smiles: | COc1ccc(CNC(c2ccc3c(c2)N(CC=C)C(c2ccccc2S3)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7105 |
| logD: | 4.7105 |
| logSw: | -4.3915 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.608 |
| InChI Key: | ATVWTKGPFKKIPX-UHFFFAOYSA-N |