4-(5-acetyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-3,4-dihydroquinoxalin-2(1H)-one
Chemical Structure Depiction of
4-(5-acetyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-3,4-dihydroquinoxalin-2(1H)-one
4-(5-acetyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-3,4-dihydroquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | G269-0227 |
| Compound Name: | 4-(5-acetyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-3,4-dihydroquinoxalin-2(1H)-one |
| Molecular Weight: | 417.5 |
| Molecular Formula: | C19 H19 N3 O4 S2 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(N1CC(Nc2ccccc12)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2973 |
| logD: | 2.2972 |
| logSw: | -2.9478 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.608 |
| InChI Key: | JQONVYWAPLURRH-UHFFFAOYSA-N |