(4-amino-3-benzyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-5-yl)(azepan-1-yl)methanone
Chemical Structure Depiction of
(4-amino-3-benzyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-5-yl)(azepan-1-yl)methanone
(4-amino-3-benzyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-5-yl)(azepan-1-yl)methanone
Compound characteristics
| Compound ID: | F128-0050 |
| Compound Name: | (4-amino-3-benzyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-5-yl)(azepan-1-yl)methanone |
| Molecular Weight: | 347.5 |
| Molecular Formula: | C17 H21 N3 O S2 |
| Smiles: | C1CCCN(CC1)C(C1=C(N)N(Cc2ccccc2)C(=S)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4904 |
| logD: | 3.4904 |
| logSw: | -3.6308 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.706 |
| InChI Key: | ICIWEWGRMCTCQJ-UHFFFAOYSA-N |