N-[2-(cyclohex-1-en-1-yl)ethyl]-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxybenzene-1-sulfonamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxybenzene-1-sulfonamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxybenzene-1-sulfonamide
Compound characteristics
| Compound ID: | E912-0217 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxybenzene-1-sulfonamide |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C23 H25 N3 O5 S |
| Smiles: | COc1ccc(CN2C(c3cccnc3C2=O)=O)cc1S(NCCC1CCCCC=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3002 |
| logD: | 2.3002 |
| logSw: | -3.0676 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.823 |
| InChI Key: | QYDUJEDABBCVAS-UHFFFAOYSA-N |