N-(4-methoxyphenyl)-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-(4-methoxyphenyl)-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide
N-(4-methoxyphenyl)-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | E977-0856 |
| Compound Name: | N-(4-methoxyphenyl)-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 417.48 |
| Molecular Formula: | C20 H23 N3 O5 S |
| Smiles: | COc1ccc(cc1)NC(CCNS(c1ccc2c(CCCC(N2)=O)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7928 |
| logD: | 1.7927 |
| logSw: | -2.5557 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.683 |
| InChI Key: | OOJVTMMROABFJC-UHFFFAOYSA-N |