2-{[5-(5-chloro-1H-indol-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(8-methoxy-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-[(8-methoxy-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-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
Compound characteristics
| Compound ID: | J031-2031 |
| Compound Name: | 2-{[5-(5-chloro-1H-indol-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide |
| Molecular Weight: | 514 |
| Molecular Formula: | C24 H24 Cl N5 O4 S |
| Smiles: | Cn1c(c2cc3cc(ccc3[nH]2)[Cl])nnc1SCC(NCc1cc2c(cc1OC)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5441 |
| logD: | 3.5441 |
| logSw: | -3.8994 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.656 |
| InChI Key: | ARHUQHQEULEUNO-UHFFFAOYSA-N |