4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-methyl-8-(thiophene-2-sulfonyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
Chemical Structure Depiction of
4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-methyl-8-(thiophene-2-sulfonyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-methyl-8-(thiophene-2-sulfonyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
Compound characteristics
| Compound ID: | G016-1023 |
| Compound Name: | 4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-methyl-8-(thiophene-2-sulfonyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one |
| Molecular Weight: | 472.58 |
| Molecular Formula: | C23 H24 N2 O5 S2 |
| Smiles: | CC1=C(C(N2CCc3ccccc3C2)=O)C2(CCN(CC2)S(c2cccs2)(=O)=O)OC1=O |
| Stereo: | ACHIRAL |
| logP: | 3.0008 |
| logD: | 3.0008 |
| logSw: | -3.3047 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.911 |
| InChI Key: | BWBXHDAJCHSOOD-UHFFFAOYSA-N |