7-{3-[(2-chlorophenyl)methyl]-1,3-diazinane-1-sulfonyl}-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-{3-[(2-chlorophenyl)methyl]-1,3-diazinane-1-sulfonyl}-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-{3-[(2-chlorophenyl)methyl]-1,3-diazinane-1-sulfonyl}-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G115-0137 |
| Compound Name: | 7-{3-[(2-chlorophenyl)methyl]-1,3-diazinane-1-sulfonyl}-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 451.99 |
| Molecular Formula: | C20 H22 Cl N3 O3 S2 |
| Smiles: | C1CN(Cc2ccccc2[Cl])CN(C1)S(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3415 |
| logD: | 3.3401 |
| logSw: | -3.5449 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.382 |
| InChI Key: | NMCUDERNXSPZOS-UHFFFAOYSA-N |