N-(4-{[3-(4-ethylpiperazin-1-yl)propyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(4-{[3-(4-ethylpiperazin-1-yl)propyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(4-{[3-(4-ethylpiperazin-1-yl)propyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-1643 |
| Compound Name: | N-(4-{[3-(4-ethylpiperazin-1-yl)propyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 432.58 |
| Molecular Formula: | C22 H32 N4 O3 S |
| Smiles: | CCN1CCN(CCCNC(c2ccc(cc2)NC(C2=C(C)OCCS2)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 0.678 |
| logD: | 0.678 |
| logSw: | -2.3295 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.374 |
| InChI Key: | CAOUQLKJNMCBCL-UHFFFAOYSA-N |