methyl 4-{[3-cyclopropyl-2-(cyclopropylimino)-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carbonyl]amino}benzoate--hydrogen bromide (1/1)
Chemical Structure Depiction of
methyl 4-{[3-cyclopropyl-2-(cyclopropylimino)-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carbonyl]amino}benzoate--hydrogen bromide (1/1)
methyl 4-{[3-cyclopropyl-2-(cyclopropylimino)-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carbonyl]amino}benzoate--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8015-9946 |
| Compound Name: | methyl 4-{[3-cyclopropyl-2-(cyclopropylimino)-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carbonyl]amino}benzoate--hydrogen bromide (1/1) |
| Molecular Weight: | 466.35 |
| Molecular Formula: | C19 H19 N3 O4 S |
| Salt: | HBr |
| Smiles: | COC(c1ccc(cc1)NC(C1=CC(N(C2CC2)/C(=N/C2CC2)S1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1496 |
| logD: | 3.1471 |
| logSw: | -3.5723 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.244 |
| InChI Key: | JFAZGRQTBDFUHT-VZCXRCSSSA-N |