3-butyl-6-hydroxy-5-[2-(thiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-butyl-6-hydroxy-5-[2-(thiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
3-butyl-6-hydroxy-5-[2-(thiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-2020 |
| Compound Name: | 3-butyl-6-hydroxy-5-[2-(thiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 427.54 |
| Molecular Formula: | C21 H21 N3 O3 S2 |
| Smiles: | CCCCN1C(C(=C(NC1=O)O)C1CC(c2cccs2)Sc2ccccc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7113 |
| logD: | -2.4931 |
| logSw: | -3.7694 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.539 |
| InChI Key: | JDRUVEGCTHVXQH-KRWDZBQOSA-N |