7-(3-chloro-4-methoxybenzene-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-(3-chloro-4-methoxybenzene-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-(3-chloro-4-methoxybenzene-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: | CM4193-3152 |
| Compound Name: | 7-(3-chloro-4-methoxybenzene-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: | 412.89 |
| Molecular Formula: | C17 H21 Cl N4 O4 S |
| Smiles: | COc1ccc(cc1[Cl])S(N1CCC2=NN(CC3CC3)C(N2CC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4719 |
| logD: | 2.467 |
| logSw: | -3.1183 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.188 |
| InChI Key: | PLZNVBOCFABFFP-UHFFFAOYSA-N |