2-{[5-(5-chloro-1H-indol-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[5-(5-chloro-1H-indol-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
2-{[5-(5-chloro-1H-indol-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
Compound characteristics
| Compound ID: | J031-2030 |
| Compound Name: | 2-{[5-(5-chloro-1H-indol-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide |
| Molecular Weight: | 483.98 |
| Molecular Formula: | C23 H22 Cl N5 O3 S |
| Smiles: | Cn1c(c2cc3cc(ccc3[nH]2)[Cl])nnc1SCC(NCc1ccc2c(c1)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5115 |
| logD: | 3.5115 |
| logSw: | -3.9592 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.025 |
| InChI Key: | NEXVLPABXOMHDR-UHFFFAOYSA-N |