4-(2,1,3-benzothiadiazole-4-sulfonyl)-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
4-(2,1,3-benzothiadiazole-4-sulfonyl)-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
4-(2,1,3-benzothiadiazole-4-sulfonyl)-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | T634-0046 |
| Compound Name: | 4-(2,1,3-benzothiadiazole-4-sulfonyl)-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 446.55 |
| Molecular Formula: | C20 H22 N4 O4 S2 |
| Smiles: | C1COCCN1Cc1ccc2c(CN(CCO2)S(c2cccc3c2nsn3)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.4066 |
| logD: | 2.3299 |
| logSw: | -2.735 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.487 |
| InChI Key: | NPYNZGRBHBOPBZ-UHFFFAOYSA-N |