3-(2-cyclopropyl-1,3,3-trioxooctahydro-3lambda~6~-pyrazino[2,1-d][1,2,5]thiadiazepine-9(1H)-carbonyl)benzonitrile
Chemical Structure Depiction of
3-(2-cyclopropyl-1,3,3-trioxooctahydro-3lambda~6~-pyrazino[2,1-d][1,2,5]thiadiazepine-9(1H)-carbonyl)benzonitrile
3-(2-cyclopropyl-1,3,3-trioxooctahydro-3lambda~6~-pyrazino[2,1-d][1,2,5]thiadiazepine-9(1H)-carbonyl)benzonitrile
Compound characteristics
| Compound ID: | S737-0032 |
| Compound Name: | 3-(2-cyclopropyl-1,3,3-trioxooctahydro-3lambda~6~-pyrazino[2,1-d][1,2,5]thiadiazepine-9(1H)-carbonyl)benzonitrile |
| Molecular Weight: | 388.44 |
| Molecular Formula: | C18 H20 N4 O4 S |
| Smiles: | C1CC1N1C(C2CN(CCN2CCS1(=O)=O)C(c1cccc(C#N)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.3404 |
| logD: | -0.3405 |
| logSw: | -1.8495 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.111 |
| InChI Key: | ZJQWUQKSIMQQKS-MRXNPFEDSA-N |