1-(4-methoxyphenyl)-3-methyl-4-(thiophen-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(4-methoxyphenyl)-3-methyl-4-(thiophen-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(4-methoxyphenyl)-3-methyl-4-(thiophen-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
Compound ID: | D302-0544 |
Compound Name: | 1-(4-methoxyphenyl)-3-methyl-4-(thiophen-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
Molecular Weight: | 371.48 |
Molecular Formula: | C18 H17 N3 O2 S2 |
Smiles: | Cc1c2C(c3ccsc3)SCC(Nc2n(c2ccc(cc2)OC)n1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.2407 |
logD: | 3.2406 |
logSw: | -3.4771 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 47.984 |
InChI Key: | AXJXFKKFRSEQSY-KRWDZBQOSA-N |