5-(3-chlorophenyl)-4-methyl-3-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
5-(3-chlorophenyl)-4-methyl-3-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
5-(3-chlorophenyl)-4-methyl-3-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | P533-0266 |
| Compound Name: | 5-(3-chlorophenyl)-4-methyl-3-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 444.94 |
| Molecular Formula: | C21 H21 Cl N4 O3 S |
| Smiles: | CC1=C(c2cccc(c2)[Cl])S(N=C1N1CCCN(CC1)C(c1ccncc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3494 |
| logD: | 2.347 |
| logSw: | -3.0988 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.346 |
| InChI Key: | LABGJPFFBUILRU-UHFFFAOYSA-N |