6-hydroxy-3-methyl-5-[2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
6-hydroxy-3-methyl-5-[2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
6-hydroxy-3-methyl-5-[2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-2402 |
| Compound Name: | 6-hydroxy-3-methyl-5-[2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C20 H16 N4 O4 S2 |
| Smiles: | CN1C(C(=C(NC1=S)O)C1CC(c2ccc(cc2)[N+]([O-])=O)Sc2ccccc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8541 |
| logD: | -2.2677 |
| logSw: | -3.4536 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.527 |
| InChI Key: | VMVBAQFGYFKXEB-INIZCTEOSA-N |