4-methyl-5-(4-methylphenyl)-3-{4-[(pyridin-3-yl)acetyl]-1,4-diazepan-1-yl}-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
4-methyl-5-(4-methylphenyl)-3-{4-[(pyridin-3-yl)acetyl]-1,4-diazepan-1-yl}-1H-1lambda~6~,2-thiazole-1,1-dione
4-methyl-5-(4-methylphenyl)-3-{4-[(pyridin-3-yl)acetyl]-1,4-diazepan-1-yl}-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | P533-0236 |
| Compound Name: | 4-methyl-5-(4-methylphenyl)-3-{4-[(pyridin-3-yl)acetyl]-1,4-diazepan-1-yl}-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 438.55 |
| Molecular Formula: | C23 H26 N4 O3 S |
| Smiles: | CC1=C(c2ccc(C)cc2)S(N=C1N1CCCN(CC1)C(Cc1cccnc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4158 |
| logD: | 2.4073 |
| logSw: | -2.1428 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.908 |
| InChI Key: | FSPFAAIWXHBGCP-UHFFFAOYSA-N |