6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE
Thuốc Gốc
Small Molecule
CTHH: C15H14N4O3
PTK: 298.2967
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
298.2967
Monoisotopic mass
298.106590334
InChI
InChI=1S/C15H14N4O3/c1-3-18-13-9-10(19(21)22)6-7-12(13)17(2)15(20)11-5-4-8-16-14(11)18/h4-9H,3H2,1-2H3
InChI Key
InChIKey=YCFJZPGDTZVVSM-UHFFFAOYSA-N
IUPAC Name
2-ethyl-10-methyl-14-nitro-2,4,10-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one
Traditional IUPAC Name
2-ethyl-10-methyl-14-nitro-2,4,10-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one
SMILES
CCN1C2=CC(=CC=C2N(C)C(=O)C2=C1N=CC=C2)[N+]([O-])=O
Độ hòa tan
2.55e-01 g/l
logP
2.29
logS
-3.1
pKa (Strongest Basic)
3.73
PSA
82.26 Å2
Refractivity
82.26 m3·mol-1
Polarizability
29.6 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
5
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading