3-hydroxy-4-(4-methoxyphenyl)-1-(pentan-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
3-hydroxy-4-(4-methoxyphenyl)-1-(pentan-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-hydroxy-4-(4-methoxyphenyl)-1-(pentan-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D066-0068 |
| Compound Name: | 3-hydroxy-4-(4-methoxyphenyl)-1-(pentan-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 361.46 |
| Molecular Formula: | C18 H23 N3 O3 S |
| Smiles: | CCC(CC)n1c2c(C(c3ccc(cc3)OC)SCC(N2)=O)c(n1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.113 |
| logD: | 2.4707 |
| logSw: | -3.348 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.122 |
| InChI Key: | REPAKQAIRXRIDC-MRXNPFEDSA-N |