6-hydroxy-3-(2-methoxyphenyl)-5-[2-(3-methylthiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-hydroxy-3-(2-methoxyphenyl)-5-[2-(3-methylthiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
6-hydroxy-3-(2-methoxyphenyl)-5-[2-(3-methylthiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-2232 |
| Compound Name: | 6-hydroxy-3-(2-methoxyphenyl)-5-[2-(3-methylthiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 491.59 |
| Molecular Formula: | C25 H21 N3 O4 S2 |
| Smiles: | Cc1ccsc1C1CC(C2=C(NC(N(C2=O)c2ccccc2OC)=O)O)=Nc2ccccc2S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8385 |
| logD: | -2.7329 |
| logSw: | -4.0077 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.007 |
| InChI Key: | KUAAUCQNGAZTNJ-FQEVSTJZSA-N |