8-(isoquinoline-1-carbonyl)-4-(2-methoxyethyl)-1lambda~4~-thia-4,8-diazaspiro[4.5]decane-1,3-dione
Chemical Structure Depiction of
8-(isoquinoline-1-carbonyl)-4-(2-methoxyethyl)-1lambda~4~-thia-4,8-diazaspiro[4.5]decane-1,3-dione
8-(isoquinoline-1-carbonyl)-4-(2-methoxyethyl)-1lambda~4~-thia-4,8-diazaspiro[4.5]decane-1,3-dione
Compound characteristics
| Compound ID: | S588-0522 |
| Compound Name: | 8-(isoquinoline-1-carbonyl)-4-(2-methoxyethyl)-1lambda~4~-thia-4,8-diazaspiro[4.5]decane-1,3-dione |
| Molecular Weight: | 401.48 |
| Molecular Formula: | C20 H23 N3 O4 S |
| Smiles: | COCCN1C(CS(C12CCN(CC2)C(c1c2ccccc2ccn1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6056 |
| logD: | 0.6056 |
| logSw: | -2.2169 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.449 |
| InChI Key: | IYIHYARGQWMBAO-UHFFFAOYSA-N |