4-methyl-3-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]-5-(4-methylphenyl)-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
4-methyl-3-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]-5-(4-methylphenyl)-1H-1lambda~6~,2-thiazole-1,1-dione
4-methyl-3-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]-5-(4-methylphenyl)-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | P533-0221 |
| Compound Name: | 4-methyl-3-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]-5-(4-methylphenyl)-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 403.54 |
| Molecular Formula: | C21 H29 N3 O3 S |
| Smiles: | CC(C)CC(N1CCCN(CC1)C1C(C)=C(c2ccc(C)cc2)S(N=1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.385 |
| logD: | 3.385 |
| logSw: | -3.6389 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.662 |
| InChI Key: | WNKSHELKHWZSQP-UHFFFAOYSA-N |