1-[(4-chlorophenyl)methyl]-5-(4-methoxyphenyl)-1,3,6,7,8,9-hexahydro-2H-[1]benzothieno[2,3-e][1,4]diazepin-2-one
Chemical Structure Depiction of
1-[(4-chlorophenyl)methyl]-5-(4-methoxyphenyl)-1,3,6,7,8,9-hexahydro-2H-[1]benzothieno[2,3-e][1,4]diazepin-2-one
1-[(4-chlorophenyl)methyl]-5-(4-methoxyphenyl)-1,3,6,7,8,9-hexahydro-2H-[1]benzothieno[2,3-e][1,4]diazepin-2-one
Compound characteristics
| Compound ID: | G375-2891 |
| Compound Name: | 1-[(4-chlorophenyl)methyl]-5-(4-methoxyphenyl)-1,3,6,7,8,9-hexahydro-2H-[1]benzothieno[2,3-e][1,4]diazepin-2-one |
| Molecular Weight: | 450.99 |
| Molecular Formula: | C25 H23 Cl N2 O2 S |
| Smiles: | COc1ccc(cc1)C1c2c3CCCCc3sc2N(Cc2ccc(cc2)[Cl])C(CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8737 |
| logD: | 5.8737 |
| logSw: | -6.2606 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.858 |
| InChI Key: | KDEWLYAIOYNCSB-UHFFFAOYSA-N |