N-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)-2H-1-benzopyran-3-carboxamide
N-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | G669-1020 |
| Compound Name: | N-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 329.42 |
| Molecular Formula: | C17 H19 N3 O2 S |
| Smiles: | Cc1c(CSCCNC(C2COc3ccccc3C=2)=O)nc[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.5392 |
| logD: | 2.1883 |
| logSw: | -2.7254 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.534 |
| InChI Key: | APXDLSQMBQCXCM-UHFFFAOYSA-N |