4-chloro-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
4-chloro-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
4-chloro-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-9747 |
| Compound Name: | 4-chloro-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 407.94 |
| Molecular Formula: | C17 H18 Cl N5 O S2 |
| Smiles: | CC1CCc2c(C#N)c(NC(NC(c3c(c(C)nn3C)[Cl])=O)=S)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7509 |
| logD: | 2.643 |
| logSw: | -4.8852 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.88 |
| InChI Key: | DVMHBTHADIGWQJ-MRVPVSSYSA-N |