4-methyl-5-phenyl-3-{4-[(thiophen-2-yl)acetyl]-1,4-diazepan-1-yl}-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
4-methyl-5-phenyl-3-{4-[(thiophen-2-yl)acetyl]-1,4-diazepan-1-yl}-1H-1lambda~6~,2-thiazole-1,1-dione
4-methyl-5-phenyl-3-{4-[(thiophen-2-yl)acetyl]-1,4-diazepan-1-yl}-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | P533-0076 |
| Compound Name: | 4-methyl-5-phenyl-3-{4-[(thiophen-2-yl)acetyl]-1,4-diazepan-1-yl}-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 429.56 |
| Molecular Formula: | C21 H23 N3 O3 S2 |
| Smiles: | CC1=C(c2ccccc2)S(N=C1N1CCCN(CC1)C(Cc1cccs1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.726 |
| logD: | 2.726 |
| logSw: | -2.9646 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.409 |
| InChI Key: | CNOXXMXCVUWYBT-UHFFFAOYSA-N |