4-(3-bromo-4-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(3-bromo-4-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(3-bromo-4-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D361-2621 |
| Compound Name: | 4-(3-bromo-4-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 368.25 |
| Molecular Formula: | C14 H14 Br N3 O2 S |
| Smiles: | Cc1c2C(c3ccc(c(c3)[Br])OC)SCC(Nc2[nH]n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4208 |
| logD: | 2.4205 |
| logSw: | -2.9307 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.663 |
| InChI Key: | SZTDNTADWNXEAL-CYBMUJFWSA-N |