4-(3-ethoxy-4-hydroxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(3-ethoxy-4-hydroxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(3-ethoxy-4-hydroxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D361-2630 |
| Compound Name: | 4-(3-ethoxy-4-hydroxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 319.38 |
| Molecular Formula: | C15 H17 N3 O3 S |
| Smiles: | CCOc1cc(ccc1O)C1c2c(C)n[nH]c2NC(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7664 |
| logD: | 1.7644 |
| logSw: | -2.449 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.791 |
| InChI Key: | TYRWVHRLPFIFII-CQSZACIVSA-N |