7-(methanesulfonyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine-5-carboxamide
Chemical Structure Depiction of
7-(methanesulfonyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine-5-carboxamide
7-(methanesulfonyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine-5-carboxamide
Compound characteristics
| Compound ID: | SA10-1006 |
| Compound Name: | 7-(methanesulfonyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine-5-carboxamide |
| Molecular Weight: | 446.53 |
| Molecular Formula: | C20 H26 N6 O4 S |
| Smiles: | Cc1nnc2CCN(CC(C(NCCc3c[nH]c4ccc(cc34)OC)=O)n12)S(C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.096 |
| logD: | -0.0964 |
| logSw: | -2.305 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.196 |
| InChI Key: | VPGSAJPBWDOTPQ-SFHVURJKSA-N |