5-[2-(2H-1,3-benzodioxol-5-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-3-butyl-6-hydroxypyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
5-[2-(2H-1,3-benzodioxol-5-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-3-butyl-6-hydroxypyrimidine-2,4(1H,3H)-dione
5-[2-(2H-1,3-benzodioxol-5-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-3-butyl-6-hydroxypyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-2011 |
| Compound Name: | 5-[2-(2H-1,3-benzodioxol-5-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-3-butyl-6-hydroxypyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 465.53 |
| Molecular Formula: | C24 H23 N3 O5 S |
| Smiles: | CCCCN1C(C(=C(NC1=O)O)C1CC(c2ccc3c(c2)OCO3)Sc2ccccc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0479 |
| logD: | -2.1566 |
| logSw: | -3.8104 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.636 |
| InChI Key: | DYVFLFOCFSYXGM-FQEVSTJZSA-N |