6-{[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-4-methoxyphenyl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
Chemical Structure Depiction of
6-{[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-4-methoxyphenyl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
6-{[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-4-methoxyphenyl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
Compound characteristics
| Compound ID: | K906-5312 |
| Compound Name: | 6-{[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-4-methoxyphenyl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione |
| Molecular Weight: | 473.5 |
| Molecular Formula: | C22 H23 N3 O7 S |
| Smiles: | COc1ccc(CN2C(c3cccnc3C2=O)=O)cc1S(N1CCC2(CC1)OCCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5998 |
| logD: | 0.5998 |
| logSw: | -2.4654 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 93.179 |
| InChI Key: | NGMVUSILMURHJZ-UHFFFAOYSA-N |