1-(butan-2-yl)-3-hydroxy-4-[4-(pentyloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(butan-2-yl)-3-hydroxy-4-[4-(pentyloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(butan-2-yl)-3-hydroxy-4-[4-(pentyloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | 5545-0084 |
| Compound Name: | 1-(butan-2-yl)-3-hydroxy-4-[4-(pentyloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 403.54 |
| Molecular Formula: | C21 H29 N3 O3 S |
| Smiles: | CCCCCOc1ccc(cc1)C1c2c(nn(C(C)CC)c2NC(CS1)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7595 |
| logD: | 4.1172 |
| logSw: | -4.1907 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.412 |
| InChI Key: | ZOIXLMKIOZWTJH-UHFFFAOYSA-N |