3-butyl-6-hydroxy-5-[2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-butyl-6-hydroxy-5-[2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
3-butyl-6-hydroxy-5-[2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-2025 |
| Compound Name: | 3-butyl-6-hydroxy-5-[2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 466.51 |
| Molecular Formula: | C23 H22 N4 O5 S |
| Smiles: | CCCCN1C(C(=C(NC1=O)O)C1CC(c2cccc(c2)[N+]([O-])=O)Sc2ccccc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9595 |
| logD: | -2.245 |
| logSw: | -3.7949 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.903 |
| InChI Key: | GBNVHYOIHDFOEC-IBGZPJMESA-N |