N-(5-{[2-(5-chloro-1H-indol-3-yl)ethyl]carbamoyl}-2-methylphenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-(5-{[2-(5-chloro-1H-indol-3-yl)ethyl]carbamoyl}-2-methylphenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-(5-{[2-(5-chloro-1H-indol-3-yl)ethyl]carbamoyl}-2-methylphenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-1572 |
| Compound Name: | N-(5-{[2-(5-chloro-1H-indol-3-yl)ethyl]carbamoyl}-2-methylphenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 455.96 |
| Molecular Formula: | C23 H22 Cl N3 O3 S |
| Smiles: | Cc1ccc(cc1NC(C1=CSCCO1)=O)C(NCCc1c[nH]c2ccc(cc12)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6004 |
| logD: | 3.5952 |
| logSw: | -4.0507 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 66.386 |
| InChI Key: | PBHBMTJBTPNZJQ-UHFFFAOYSA-N |