868774-16-7
2H-PYRAZINO[1,2-A]PYRIMIDINE-1(6H)-CARBOXAMIDE, HEXAHYDRO-6-[(4-HYDROXYPHENYL)METHYL]-8-(1-NAPHTHALENYLMETHYL)-4,7-DIOXO-N-(PHENYLMETHYL)-, (6S)-
Name2H-PYRAZINO[1,2-A]PYRIMIDINE-1(6H)-CARBOXAMIDE, HEXAHYDRO-6-[(4-HYDROXYPHENYL)METHYL]-8-(1-NAPHTHALENYLMETHYL)-4,7-DIOXO-N-(PHENYLMETHYL)-, (6S)-
1Identification
【Name】
2H-PYRAZINO[1,2-A]PYRIMIDINE-1(6H)-CARBOXAMIDE, HEXAHYDRO-6-[(4-HYDROXYPHENYL)METHYL]-8-(1-NAPHTHALENYLMETHYL)-4,7-DIOXO-N-(PHENYLMETHYL)-, (6S)-
【CAS】
【MDL】
MFCD12032107
【English Synonyms】
【Formula】
C33 H32 N4 O4
【MolWeight】
548.64
【Inchi】
InChI=1S/C33H32N4O4/c38-27-15-13-23(14-16-27)19-29-32(40)35(21-26-11-6-10-25-9-4-5-12-28(25)26)22-30-36(18-17-31(39)37(29)30)33(41)34-20-24-7-2-1-3-8-24/h1-16,29-30,38H,17-22H2,(H,34,41)/t29-,30?/m0/s1
【InChIKey】
InChIKey=HQWTUOLCGKIECB-UFXYQILXSA-N
【SMILES】
c1ccc(cc1)CNC(=O)N2CCC(=O)N3C2CN(C(=O)[C@@H]3Cc4ccc(cc4)O)Cc5cccc6c5cccc6
【MOL File】
2H-PYRAZINO[1,2-A]PY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2H-PYRAZINO[1,2-A]PYRIMIDINE-1(6H)-CARBOXAMIDE, HEXAHYDRO-6-[(4-HYDROXYPHENYL)METHYL]-8-(1-NAPHTHALENYLMETHYL)-4,7-DIOXO-N-(PHENYLMETHYL)-, (6S)-.cml