729582-32-5
N-(3-[(TETRAHYDRO-FURAN-2-YLMETHYL)-CARBAMOYL]-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHEN-2-YL)-SUCCINAMIC ACID
NameN-(3-[(TETRAHYDRO-FURAN-2-YLMETHYL)-CARBAMOYL]-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHEN-2-YL)-SUCCINAMIC ACID
1Identification
【Name】
N-(3-[(TETRAHYDRO-FURAN-2-YLMETHYL)-CARBAMOYL]-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHEN-2-YL)-SUCCINAMIC ACID
【CAS】
【MDL】
MFCD03970822
【English Synonyms】
【Formula】
C18 H24 N2 O5 S
【MolWeight】
380.463
【Inchi】
InChI=1S/C18H24N2O5S/c21-14(7-8-15(22)23)20-18-16(12-5-1-2-6-13(12)26-18)17(24)19-10-11-4-3-9-25-11/h11H,1-10H2,(H,19,24)(H,20,21)(H,22,23)
【InChIKey】
InChIKey=NRYGPDHRLIEFSO-UHFFFAOYSA-N
【SMILES】
C1CCc2c(c(c(s2)NC(=O)CCC(=O)O)C(=O)NCC3CCCO3)C1
【MOL File】
N-(3-[(TETRAHYDRO-FU….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(3-[(TETRAHYDRO-FURAN-2-YLMETHYL)-CARBAMOYL]-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHEN-2-YL)-SUCCINAMIC ACID.cml