2-[2-(4-CHLORO-PHENYLSULFANYL)-ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-PROPIONAMIDE
Thuốc Gốc
Small Molecule
CTHH: C18H20ClN5O2S
PTK: 405.902
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
405.902
Monoisotopic mass
405.102623306
InChI
InChI=1S/C18H20ClN5O2S/c19-12-3-7-14(8-4-12)27-10-16(25)24-15(17(20)26)9-11-1-5-13(6-2-11)23-18(21)22/h1-8,15H,9-10H2,(H2,20,26)(H,24,25)(H4,21,22,23)/t15-/m0/s1
InChI Key
InChIKey=IEEYGOJDTRVYGR-HNNXBMFYSA-N
IUPAC Name
(2S)-3-(4-carbamimidamidophenyl)-2-{2-[(4-chlorophenyl)sulfanyl]acetamido}propanamide
Traditional IUPAC Name
(2S)-3-(4-carbamimidamidophenyl)-2-{2-[(4-chlorophenyl)sulfanyl]acetamido}propanamide
SMILES
[H][C@@](CC1=CC=C(NC(N)=N)C=C1)(NC(=O)CSC1=CC=C(Cl)C=C1)C(N)=O
Độ hòa tan
1.90e-02 g/l
logP
1.54
logS
-4.3
pKa (strongest acidic)
11.79
pKa (Strongest Basic)
10.18
PSA
134.09 Å2
Refractivity
119.73 m3·mol-1
Polarizability
39.94 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
5
H Bond Donor Count
5
Physiological Charge
1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading