N-(5-{[3-(4-benzylpiperazin-1-yl)propyl]carbamoyl}-2-methylphenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-(5-{[3-(4-benzylpiperazin-1-yl)propyl]carbamoyl}-2-methylphenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-(5-{[3-(4-benzylpiperazin-1-yl)propyl]carbamoyl}-2-methylphenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
Compound ID: | G370-1600 |
Compound Name: | N-(5-{[3-(4-benzylpiperazin-1-yl)propyl]carbamoyl}-2-methylphenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide |
Molecular Weight: | 494.66 |
Molecular Formula: | C27 H34 N4 O3 S |
Smiles: | Cc1ccc(cc1NC(C1=CSCCO1)=O)C(NCCCN1CCN(CC1)Cc1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 2.2519 |
logD: | 1.481 |
logSw: | -2.8914 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 64.038 |
InChI Key: | YULKGJULWLJVMV-UHFFFAOYSA-N |