7-(2,3-dihydro-1H-indene-5-sulfonyl)-2-(2-methoxyethyl)-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-(2,3-dihydro-1H-indene-5-sulfonyl)-2-(2-methoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(2,3-dihydro-1H-indene-5-sulfonyl)-2-(2-methoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-1508 |
| Compound Name: | 7-(2,3-dihydro-1H-indene-5-sulfonyl)-2-(2-methoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C18 H24 N4 O4 S |
| Smiles: | COCCN1C(N2CCN(CCC2=N1)S(c1ccc2CCCc2c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1442 |
| logD: | 2.1442 |
| logSw: | -2.5994 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.914 |
| InChI Key: | PJFAPIIJDQHGRI-UHFFFAOYSA-N |