3-[5-(benzylamino)-1,3,4-thiadiazol-2-yl]-7-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[5-(benzylamino)-1,3,4-thiadiazol-2-yl]-7-methoxy-2H-1-benzopyran-2-one
3-[5-(benzylamino)-1,3,4-thiadiazol-2-yl]-7-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K231-0242 |
| Compound Name: | 3-[5-(benzylamino)-1,3,4-thiadiazol-2-yl]-7-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 365.41 |
| Molecular Formula: | C19 H15 N3 O3 S |
| Smiles: | COc1ccc2C=C(C(=O)Oc2c1)c1nnc(NCc2ccccc2)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.6234 |
| logD: | 3.6234 |
| logSw: | -4.0958 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.212 |
| InChI Key: | SOUDXYOTEJHRNQ-UHFFFAOYSA-N |