5-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}piperidine-1-sulfonyl)-6-methylpyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
5-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}piperidine-1-sulfonyl)-6-methylpyrimidine-2,4(1H,3H)-dione
5-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}piperidine-1-sulfonyl)-6-methylpyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C274-1569 |
| Compound Name: | 5-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}piperidine-1-sulfonyl)-6-methylpyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 519.58 |
| Molecular Formula: | C23 H29 N5 O7 S |
| Smiles: | CC1=C(C(NC(N1)=O)=O)S(N1CCC(CC1)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0333 |
| logD: | -0.0333 |
| logSw: | -2.5942 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 117.788 |
| InChI Key: | OEZUVQWOTNYOIN-UHFFFAOYSA-N |