N-{4-[(2-{(butan-2-yl)[(thiophen-2-yl)methyl]amino}ethyl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-{4-[(2-{(butan-2-yl)[(thiophen-2-yl)methyl]amino}ethyl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-{4-[(2-{(butan-2-yl)[(thiophen-2-yl)methyl]amino}ethyl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-2311 |
| Compound Name: | N-{4-[(2-{(butan-2-yl)[(thiophen-2-yl)methyl]amino}ethyl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 473.66 |
| Molecular Formula: | C24 H31 N3 O3 S2 |
| Smiles: | CCC(C)N(CCNC(c1ccc(cc1)NC(C1=C(C)OCCS1)=O)=O)Cc1cccs1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0147 |
| logD: | 3.0147 |
| logSw: | -3.2489 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.055 |
| InChI Key: | XBLMAVRBTWSZMV-KRWDZBQOSA-N |