3-(azepane-1-carbonyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methyl-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
Chemical Structure Depiction of
3-(azepane-1-carbonyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methyl-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
3-(azepane-1-carbonyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methyl-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
Compound characteristics
Compound ID: | M786-3453 |
Compound Name: | 3-(azepane-1-carbonyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methyl-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione |
Molecular Weight: | 430.52 |
Molecular Formula: | C21 H26 N4 O4 S |
Smiles: | Cc1ccc2c(c1)N(Cc1c(C)noc1C)N=C(C(N1CCCCCC1)=O)S2(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.8257 |
logD: | 2.8257 |
logSw: | -3.4242 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 82.707 |
InChI Key: | CRCQAAFUYNFMGP-UHFFFAOYSA-N |