3-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-2,4-dioxo-N-[(oxolan-2-yl)methyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
Chemical Structure Depiction of
3-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-2,4-dioxo-N-[(oxolan-2-yl)methyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
3-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-2,4-dioxo-N-[(oxolan-2-yl)methyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
Compound characteristics
| Compound ID: | L596-0506 |
| Compound Name: | 3-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-2,4-dioxo-N-[(oxolan-2-yl)methyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide |
| Molecular Weight: | 478.57 |
| Molecular Formula: | C22 H30 N4 O6 S |
| Smiles: | CN1C(N(CC(N2CCCCCC2)=O)C(c2cc(ccc12)S(NCC1CCCO1)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0099 |
| logD: | 1.0098 |
| logSw: | -2.6099 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.44 |
| InChI Key: | JDKDPAIPZLBQAT-MRXNPFEDSA-N |