3-methyl-4-(3-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
3-methyl-4-(3-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-methyl-4-(3-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D361-2593 |
| Compound Name: | 3-methyl-4-(3-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 273.35 |
| Molecular Formula: | C14 H15 N3 O S |
| Smiles: | Cc1cccc(c1)C1c2c(C)n[nH]c2NC(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5399 |
| logD: | 2.5396 |
| logSw: | -2.7664 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.033 |
| InChI Key: | PAUTVDDTYNDQTL-CYBMUJFWSA-N |