N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-{[4-ethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-{[4-ethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-{[4-ethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | J031-2036 |
| Compound Name: | N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-{[4-ethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 478.61 |
| Molecular Formula: | C26 H30 N4 O3 S |
| Smiles: | CCn1c(c2ccc3CCCCc3c2)nnc1SCC(NCc1ccc2c(c1)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4037 |
| logD: | 4.4036 |
| logSw: | -4.2699 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.512 |
| InChI Key: | NBDIBYBUFZWRDQ-UHFFFAOYSA-N |