2-(cyclopropylmethyl)-7-(thiophene-2-sulfonyl)-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-(thiophene-2-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-(cyclopropylmethyl)-7-(thiophene-2-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | CM4193-2660 |
| Compound Name: | 2-(cyclopropylmethyl)-7-(thiophene-2-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 354.45 |
| Molecular Formula: | C14 H18 N4 O3 S2 |
| Smiles: | C1CN(CCN2C1=NN(CC1CC1)C2=O)S(c1cccs1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8019 |
| logD: | 1.797 |
| logSw: | -2.3072 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.576 |
| InChI Key: | BRTANPNYQNXEHU-UHFFFAOYSA-N |