2-[5-(4-methoxyphenyl)-2-oxo-2,3,6,7,8,9-hexahydro-1H-[1]benzothieno[2,3-e][1,4]diazepin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-[5-(4-methoxyphenyl)-2-oxo-2,3,6,7,8,9-hexahydro-1H-[1]benzothieno[2,3-e][1,4]diazepin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
2-[5-(4-methoxyphenyl)-2-oxo-2,3,6,7,8,9-hexahydro-1H-[1]benzothieno[2,3-e][1,4]diazepin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | G375-2865 |
| Compound Name: | 2-[5-(4-methoxyphenyl)-2-oxo-2,3,6,7,8,9-hexahydro-1H-[1]benzothieno[2,3-e][1,4]diazepin-1-yl]-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 487.62 |
| Molecular Formula: | C28 H29 N3 O3 S |
| Smiles: | Cc1ccc(CNC(CN2C(CN=C(c3ccc(cc3)OC)c3c4CCCCc4sc23)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.686 |
| logD: | 4.686 |
| logSw: | -4.4898 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.329 |
| InChI Key: | KJAJQYREFBQIKZ-UHFFFAOYSA-N |