3-hydroxy-1-(propan-2-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-(propan-2-yl)-4-(4-propoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-hydroxy-1-(propan-2-yl)-4-(4-propoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
Compound ID: | D066-0037 |
Compound Name: | 3-hydroxy-1-(propan-2-yl)-4-(4-propoxyphenyl)-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: | CCCOc1ccc(cc1)C1c2c(nn(C(C)C)c2NC(CS1)=O)O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.3011 |
logD: | 2.6588 |
logSw: | -3.4006 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 63.827 |
InChI Key: | SPGOCVIMUAHYKV-MRXNPFEDSA-N |