N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(phenylsulfanyl)propanamide
Chemical Structure Depiction of
N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(phenylsulfanyl)propanamide
N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(phenylsulfanyl)propanamide
Compound characteristics
| Compound ID: | 3333-4109 |
| Compound Name: | N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(phenylsulfanyl)propanamide |
| Molecular Weight: | 464.67 |
| Molecular Formula: | C25 H24 N2 O S3 |
| Smiles: | CC1CCc2c(c(NC(CCSc3ccccc3)=O)sc2C1)c1nc2ccccc2s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9612 |
| logD: | 6.9546 |
| logSw: | -5.7888 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.28 |
| InChI Key: | PUMXVRMHWRDPHX-MRXNPFEDSA-N |