N-methyl-N-[2-oxo-2-(4-oxo-3,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepin-7-yl)ethyl]thiophene-2-sulfonamide
Chemical Structure Depiction of
N-methyl-N-[2-oxo-2-(4-oxo-3,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepin-7-yl)ethyl]thiophene-2-sulfonamide
N-methyl-N-[2-oxo-2-(4-oxo-3,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepin-7-yl)ethyl]thiophene-2-sulfonamide
Compound characteristics
| Compound ID: | CM2409-6059 |
| Compound Name: | N-methyl-N-[2-oxo-2-(4-oxo-3,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepin-7-yl)ethyl]thiophene-2-sulfonamide |
| Molecular Weight: | 382.46 |
| Molecular Formula: | C15 H18 N4 O4 S2 |
| Smiles: | CN(CC(N1CCC2=C(CC1)N=CNC2=O)=O)S(c1cccs1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.6793 |
| logD: | -0.6901 |
| logSw: | -2.1755 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.019 |
| InChI Key: | BUNXSHUZCDXIKB-UHFFFAOYSA-N |