7-(5-chlorothiophene-2-carbonyl)-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-(5-chlorothiophene-2-carbonyl)-2-(cyclopropylmethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(5-chlorothiophene-2-carbonyl)-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: | S636-1648 |
| Compound Name: | 7-(5-chlorothiophene-2-carbonyl)-2-(cyclopropylmethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 352.84 |
| Molecular Formula: | C15 H17 Cl N4 O2 S |
| Smiles: | C1CN(CCN2C1=NN(CC1CC1)C2=O)C(c1ccc(s1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6743 |
| logD: | 2.6733 |
| logSw: | -3.2098 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 51.514 |
| InChI Key: | KBCXZBMBSZUONL-UHFFFAOYSA-N |