(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE
Thuốc Gốc
Small Molecule
CTHH: C16H21N3O2S
PTK: 319.422
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
319.422
Monoisotopic mass
319.135447621
InChI
InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1
InChI Key
InChIKey=AWDORCFLUJZUQS-ZDUSSCGKSA-N
IUPAC Name
4-methyl-5-[(2S)-2-methyl-1,4-diazepane-1-sulfonyl]isoquinoline
Traditional IUPAC Name
4-methyl-5-[(2S)-2-methyl-1,4-diazepane-1-sulfonyl]isoquinoline
SMILES
[H][C@]1(C)CNCCCN1S(=O)(=O)C1=C2C(C)=CN=CC2=CC=C1
Độ hòa tan
2.32e-01 g/l
logP
1.25
logS
-3.1
pKa (Strongest Basic)
8.2
PSA
62.3 Å2
Refractivity
87.38 m3·mol-1
Polarizability
33.43 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
4
H Bond Donor Count
1
Physiological Charge
1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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