3-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}propanamide
Chemical Structure Depiction of
3-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}propanamide
3-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}propanamide
Compound characteristics
| Compound ID: | Y041-4904 |
| Compound Name: | 3-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}propanamide |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C22 H21 N5 O4 S |
| Smiles: | COc1ccc(Cc2nnc(NC(CC[C@@H]3C(Nc4ccccc4C(N3)=O)=O)=O)s2)cc1 |
| Stereo: | ABSOLUTE |
| logP: | 2.9755 |
| logD: | 2.9545 |
| logSw: | -3.7045 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.412 |
| InChI Key: | PJKFSJKZMQROTL-QGZVFWFLSA-N |