1-(CYCLOHEXYLAMINO)-3-(6-METHYL-3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-2-OL
Thuốc Gốc
Small Molecule
CTHH: C22H32N2O
PTK: 340.5023
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C22H32N2O
Phân tử khối
340.5023
Monoisotopic mass
340.251463656
InChI
InChI=1S/C22H32N2O/c1-16-11-12-22-20(13-16)19-9-5-6-10-21(19)24(22)15-18(25)14-23-17-7-3-2-4-8-17/h11-13,17-18,23,25H,2-10,14-15H2,1H3/t18-/m0/s1
InChI Key
InChIKey=AXYFCRIRLKSCRR-SFHVURJKSA-N
IUPAC Name
(2S)-1-(cyclohexylamino)-3-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-9-yl)propan-2-ol
Traditional IUPAC Name
(2S)-1-(cyclohexylamino)-3-(3-methyl-5,6,7,8-tetrahydrocarbazol-9-yl)propan-2-ol
SMILES
[H][C@](O)(CNC1CCCCC1)CN1C2=C(CCCC2)C2=C1C=CC(C)=C2
Độ hòa tan
3.61e-03 g/l
logP
4.83
logS
-5
pKa (strongest acidic)
14.44
pKa (Strongest Basic)
10.21
PSA
37.19 Å2
Refractivity
104.3 m3·mol-1
Polarizability
42.21 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
2
H Bond Donor Count
2
Physiological Charge
1
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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