6-hydroxy-3-methyl-5-[2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-hydroxy-3-methyl-5-[2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
6-hydroxy-3-methyl-5-[2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-2480 |
| Compound Name: | 6-hydroxy-3-methyl-5-[2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 424.43 |
| Molecular Formula: | C20 H16 N4 O5 S |
| Smiles: | CN1C(C(=C(NC1=O)O)C1CC(c2cccc(c2)[N+]([O-])=O)Sc2ccccc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6455 |
| logD: | -3.559 |
| logSw: | -3.1606 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.69 |
| InChI Key: | QKDVXUUZJUYWJM-INIZCTEOSA-N |