N-[4-({2-[(adamantan-1-yl)sulfanyl]ethyl}carbamoyl)phenyl]-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-[4-({2-[(adamantan-1-yl)sulfanyl]ethyl}carbamoyl)phenyl]-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-[4-({2-[(adamantan-1-yl)sulfanyl]ethyl}carbamoyl)phenyl]-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-0341 |
| Compound Name: | N-[4-({2-[(adamantan-1-yl)sulfanyl]ethyl}carbamoyl)phenyl]-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 458.64 |
| Molecular Formula: | C24 H30 N2 O3 S2 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)SCCNC(c1ccc(cc1)NC(C1=CSCCO1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9312 |
| logD: | 3.7673 |
| logSw: | -4.247 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.247 |
| InChI Key: | XZWGVVLPUXSISE-UHFFFAOYSA-N |