N-(5-chloro-2-methoxyphenyl)-2-[(8-oxo-5,6,7,8-tetrahydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-2-[(8-oxo-5,6,7,8-tetrahydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide
N-(5-chloro-2-methoxyphenyl)-2-[(8-oxo-5,6,7,8-tetrahydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C254-0012 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-[(8-oxo-5,6,7,8-tetrahydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 398.89 |
| Molecular Formula: | C15 H15 Cl N4 O3 S2 |
| Smiles: | COc1ccc(cc1NC(CSC1=NN2CCCC(N=C2S1)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.2802 |
| logD: | 2.277 |
| logSw: | -3.3785 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.729 |
| InChI Key: | FBJYXMQJIKNTJV-UHFFFAOYSA-N |