4-(3-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(3-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(3-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
Compound ID: | D361-2628 |
Compound Name: | 4-(3-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
Molecular Weight: | 289.35 |
Molecular Formula: | C14 H15 N3 O2 S |
Smiles: | Cc1c2C(c3cccc(c3)OC)SCC(Nc2[nH]n1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.022 |
logD: | 2.0217 |
logSw: | -2.6854 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 56.576 |
InChI Key: | BQCPJHQKTRGOJY-CYBMUJFWSA-N |