N-(2-chloro-5-methoxy-4-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(2-chloro-5-methoxy-4-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(2-chloro-5-methoxy-4-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-2940 |
| Compound Name: | N-(2-chloro-5-methoxy-4-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 483.03 |
| Molecular Formula: | C22 H31 Cl N4 O4 S |
| Smiles: | CC1=C(C(Nc2cc(c(cc2[Cl])C(NCCCN2CCN(C)CC2)=O)OC)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 1.9498 |
| logD: | 1.9498 |
| logSw: | -3.2036 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.247 |
| InChI Key: | KCOKVNGEJPUZFF-UHFFFAOYSA-N |