7-[4-(5-chloro-2-methylphenyl)piperazine-1-sulfonyl]-4,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
Chemical Structure Depiction of
7-[4-(5-chloro-2-methylphenyl)piperazine-1-sulfonyl]-4,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
7-[4-(5-chloro-2-methylphenyl)piperazine-1-sulfonyl]-4,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
Compound characteristics
| Compound ID: | E470-1679 |
| Compound Name: | 7-[4-(5-chloro-2-methylphenyl)piperazine-1-sulfonyl]-4,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine |
| Molecular Weight: | 435.97 |
| Molecular Formula: | C21 H26 Cl N3 O3 S |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)S(c1cc2c(cc1C)N(C)CCO2)(=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.4775 |
| logD: | 4.4775 |
| logSw: | -4.5615 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.41 |
| InChI Key: | SBMVECULWCCBOK-UHFFFAOYSA-N |