7-(butane-1-sulfonyl)-2-(cyclopropylmethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Chemical Structure Depiction of
7-(butane-1-sulfonyl)-2-(cyclopropylmethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(butane-1-sulfonyl)-2-(cyclopropylmethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-1958 |
| Compound Name: | 7-(butane-1-sulfonyl)-2-(cyclopropylmethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 328.43 |
| Molecular Formula: | C14 H24 N4 O3 S |
| Smiles: | CCCCS(N1CCC2=NN(CC3CC3)C(N2CC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7307 |
| logD: | 1.7258 |
| logSw: | -1.8778 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.724 |
| InChI Key: | RPRXDWJAOALWEC-UHFFFAOYSA-N |