3-(4-chlorophenyl)-6-hydroxy-5-[2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-(4-chlorophenyl)-6-hydroxy-5-[2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
3-(4-chlorophenyl)-6-hydroxy-5-[2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-2199 |
| Compound Name: | 3-(4-chlorophenyl)-6-hydroxy-5-[2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 491.95 |
| Molecular Formula: | C25 H18 Cl N3 O4 S |
| Smiles: | C1C(c2ccc(cc2)O)Sc2ccccc2N=C1C1=C(NC(N(C1=O)c1ccc(cc1)[Cl])=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7911 |
| logD: | -2.7803 |
| logSw: | -4.6165 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.277 |
| InChI Key: | OSHDZICUJCRORW-NRFANRHFSA-N |