3-hydroxy-1-(pentan-3-yl)-4-(4-propoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
3-hydroxy-1-(pentan-3-yl)-4-(4-propoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-hydroxy-1-(pentan-3-yl)-4-(4-propoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
Compound ID: | D066-0067 |
Compound Name: | 3-hydroxy-1-(pentan-3-yl)-4-(4-propoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
Molecular Weight: | 389.52 |
Molecular Formula: | C20 H27 N3 O3 S |
Smiles: | CCCOc1ccc(cc1)C1c2c(nn(C(CC)CC)c2NC(CS1)=O)O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.0899 |
logD: | 3.4477 |
logSw: | -3.8753 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 62.996 |
InChI Key: | PUMCBLGGJDOLDZ-GOSISDBHSA-N |