3-methyl-1,4-bis(4-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
3-methyl-1,4-bis(4-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-methyl-1,4-bis(4-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0237 |
| Compound Name: | 3-methyl-1,4-bis(4-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 363.48 |
| Molecular Formula: | C21 H21 N3 O S |
| Smiles: | Cc1ccc(cc1)C1c2c(C)nn(c3ccc(C)cc3)c2NC(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4477 |
| logD: | 4.4476 |
| logSw: | -4.1981 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.422 |
| InChI Key: | VNNDUHIGQGIQNP-HXUWFJFHSA-N |