(3S)-N-cyclopentyl-7-{[cyclopropyl(methanesulfonyl)amino]methyl}-3-methyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
(3S)-N-cyclopentyl-7-{[cyclopropyl(methanesulfonyl)amino]methyl}-3-methyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
(3S)-N-cyclopentyl-7-{[cyclopropyl(methanesulfonyl)amino]methyl}-3-methyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S978-0681 |
| Compound Name: | (3S)-N-cyclopentyl-7-{[cyclopropyl(methanesulfonyl)amino]methyl}-3-methyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 421.56 |
| Molecular Formula: | C21 H31 N3 O4 S |
| Smiles: | C[C@H]1COc2ccc(CN(C3CC3)S(C)(=O)=O)cc2CN1C(NC1CCCC1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.5376 |
| logD: | 3.5376 |
| logSw: | -3.7617 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.33 |
| InChI Key: | XLNJXXOXSLQFHX-OAHLLOKOSA-N |