7-[4-(5-chloro-2-methylphenyl)piperazine-1-sulfonyl]-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-[4-(5-chloro-2-methylphenyl)piperazine-1-sulfonyl]-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-[4-(5-chloro-2-methylphenyl)piperazine-1-sulfonyl]-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G008-1738 |
| Compound Name: | 7-[4-(5-chloro-2-methylphenyl)piperazine-1-sulfonyl]-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 466.02 |
| Molecular Formula: | C21 H24 Cl N3 O3 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(N1CCN(CC1)c1cc(ccc1C)[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5339 |
| logD: | 4.5334 |
| logSw: | -4.5589 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.117 |
| InChI Key: | YMDMUSJJHNAXBW-OAHLLOKOSA-N |