4-[(2-chloroethyl)amino]-N-(1,1,3,3-tetraoxo-1,3-dihydro-2H-1lambda~6~,3lambda~6~,2-benzodithiazol-2-yl)-1,2,5-thiadiazole-3-carboxamide
Chemical Structure Depiction of
4-[(2-chloroethyl)amino]-N-(1,1,3,3-tetraoxo-1,3-dihydro-2H-1lambda~6~,3lambda~6~,2-benzodithiazol-2-yl)-1,2,5-thiadiazole-3-carboxamide
4-[(2-chloroethyl)amino]-N-(1,1,3,3-tetraoxo-1,3-dihydro-2H-1lambda~6~,3lambda~6~,2-benzodithiazol-2-yl)-1,2,5-thiadiazole-3-carboxamide
Compound characteristics
| Compound ID: | K608-0082 |
| Compound Name: | 4-[(2-chloroethyl)amino]-N-(1,1,3,3-tetraoxo-1,3-dihydro-2H-1lambda~6~,3lambda~6~,2-benzodithiazol-2-yl)-1,2,5-thiadiazole-3-carboxamide |
| Molecular Weight: | 423.87 |
| Molecular Formula: | C11 H10 Cl N5 O5 S3 |
| Smiles: | C(C[Cl])Nc1c(C(NN2S(c3ccccc3S2(=O)=O)(=O)=O)=O)nsn1 |
| Stereo: | ACHIRAL |
| logP: | 0.8725 |
| logD: | 0.8723 |
| logSw: | -2.0982 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 120.291 |
| InChI Key: | VYNMGBVFIJBGPI-UHFFFAOYSA-N |