7-(2,1,3-benzothiadiazole-4-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-(2,1,3-benzothiadiazole-4-sulfonyl)-2-(cyclopropylmethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(2,1,3-benzothiadiazole-4-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: | S636-5878 |
| Compound Name: | 7-(2,1,3-benzothiadiazole-4-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: | 406.48 |
| Molecular Formula: | C16 H18 N6 O3 S2 |
| Smiles: | C1CN(CCN2C1=NN(CC1CC1)C2=O)S(c1cccc2c1nsn2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1148 |
| logD: | 2.1099 |
| logSw: | -2.3235 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 86.51 |
| InChI Key: | CYOBRWGQOATWRQ-UHFFFAOYSA-N |