2-(cyclopropylmethyl)-7-[(5-methoxy-1H-indol-3-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Chemical Structure Depiction of
2-(cyclopropylmethyl)-7-[(5-methoxy-1H-indol-3-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-(cyclopropylmethyl)-7-[(5-methoxy-1H-indol-3-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-1779 |
| Compound Name: | 2-(cyclopropylmethyl)-7-[(5-methoxy-1H-indol-3-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 367.45 |
| Molecular Formula: | C20 H25 N5 O2 |
| Smiles: | COc1ccc2c(c1)c(CN1CCC3=NN(CC4CC4)C(N3CC1)=O)c[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 2.6631 |
| logD: | 0.4782 |
| logSw: | -3.0231 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.994 |
| InChI Key: | SXLMGAWHUGBTGI-UHFFFAOYSA-N |