1-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl}-5-phenyl-1,3,6,7,8,9-hexahydro-2H-[1]benzothieno[2,3-e][1,4]diazepin-2-one
Chemical Structure Depiction of
1-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl}-5-phenyl-1,3,6,7,8,9-hexahydro-2H-[1]benzothieno[2,3-e][1,4]diazepin-2-one
1-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl}-5-phenyl-1,3,6,7,8,9-hexahydro-2H-[1]benzothieno[2,3-e][1,4]diazepin-2-one
Compound characteristics
| Compound ID: | C798-0557 |
| Compound Name: | 1-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl}-5-phenyl-1,3,6,7,8,9-hexahydro-2H-[1]benzothieno[2,3-e][1,4]diazepin-2-one |
| Molecular Weight: | 481.62 |
| Molecular Formula: | C29 H27 N3 O2 S |
| Smiles: | Cc1ccccc1c1nc(CN2C(CN=C(c3ccccc3)c3c4CCCCc4sc23)=O)c(C)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.8247 |
| logD: | 5.8247 |
| logSw: | -5.549 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.436 |
| InChI Key: | MCYUBZPLQKOEFL-UHFFFAOYSA-N |