NC12CCC(CC1)Cn1c2nc(C(=O)NCC(=O)Cc2ccc(F)cc2)c(O)c1=O
이름: 1-amino-N-[3-(4-fluorophenyl)-2-oxopropyl]-5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide
SMILES: NC12CCC(CC1)Cn1c2nc(C(=O)NCC(=O)Cc2ccc(F)cc2)c(O)c1=O

Molecular Processing

Molecular formula
C21H23FN4O4
Molecular weight
414.44
Exact mass
414.1703
XLogP
0.99
TPSA
127.31
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
30
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
105.43

Supplementary Information

InChIKey: BMLMSEVVECTACD-UHFFFAOYSA-N
동의어
SCHEMBL9905156BMLMSEVVECTACD-UHFFFAOYSA-N10-Amino-N-(3-(4-fluorophenyl)-2-oxopropyl)-3-hydroxy-4-oxo-4,6,7,8,9,10-hexahydro-7,10-ethanopyrimido[1,2-a]azepine-2-carboxamide
출처 보기 →
2개 반응에 참여→

확장 검색

부분 구조 검색→유사 구조 검색→