5-(4-chlorophenyl)-4-methyl-3-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
5-(4-chlorophenyl)-4-methyl-3-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
5-(4-chlorophenyl)-4-methyl-3-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | P533-0016 |
| Compound Name: | 5-(4-chlorophenyl)-4-methyl-3-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 437.94 |
| Molecular Formula: | C20 H24 Cl N3 O4 S |
| Smiles: | CC1=C(c2ccc(cc2)[Cl])S(N=C1N1CCCN(CC1)C(C1CCCO1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3588 |
| logD: | 2.3588 |
| logSw: | -3.0469 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.329 |
| InChI Key: | OHYBAIGCHOXDCX-KRWDZBQOSA-N |