4-methyl-5-phenyl-3-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
4-methyl-5-phenyl-3-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
4-methyl-5-phenyl-3-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | P533-0077 |
| Compound Name: | 4-methyl-5-phenyl-3-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 415.53 |
| Molecular Formula: | C20 H21 N3 O3 S2 |
| Smiles: | CC1=C(c2ccccc2)S(N=C1N1CCCN(CC1)C(c1ccsc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.71 |
| logD: | 2.71 |
| logSw: | -2.8985 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.936 |
| InChI Key: | IULJADIBUARPPM-UHFFFAOYSA-N |