3-(3-chlorophenyl)-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-(3-chlorophenyl)-6-hydroxy-5-[2-(thiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
3-(3-chlorophenyl)-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: | D364-2335 |
| Compound Name: | 3-(3-chlorophenyl)-6-hydroxy-5-[2-(thiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 481.98 |
| Molecular Formula: | C23 H16 Cl N3 O3 S2 |
| Smiles: | C1C(c2cccs2)Sc2ccccc2N=C1C1=C(NC(N(C1=O)c1cccc(c1)[Cl])=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0494 |
| logD: | -2.522 |
| logSw: | -4.2577 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.678 |
| InChI Key: | ZDQCGHNVVRNFRT-IBGZPJMESA-N |