C1C2=CC=CN2CC3=C(N1C(=O)C4=CC=C(C=C4)N)C=CS3
Название: (4-aminophenyl)-(4-thia-1,8-diazatricyclo[8.3.0.03,7]trideca-3(7),5,10,12-tetraen-8-yl)methanone
SMILES: C1C2=CC=CN2CC3=C(N1C(=O)C4=CC=C(C=C4)N)C=CS3

Molecular Processing

Molecular formula
C17H15N3OS
Molecular weight
309.39
Exact mass
309.0936
XLogP
3.34
TPSA
51.26
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
22
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
89.22

Supplementary Information

InChIKey: AZHHURQXQAFKEZ-UHFFFAOYSA-N
Синонимы
SCHEMBL7331231AZHHURQXQAFKEZ-UHFFFAOYSA-N4,10-dihydro-4-(4-aminobenzoyl)-5H-pyrrolo-[1,2-a]thieno[3,2-e] [1,4]diazepine4,10-dihydro-4-(4-aminobenzoyl)-5H-pyrrolo-[1,2-a]thieno[3,2-e]-[1,4]diazepine4,10-Dihydro-4-(4-aminobenzoyl)-5H-pyrrolo-[1,2-a]thieno[3,2-e][1,4]diazepine4,10-Dihydro-4-(4-aminobenzoyl)-5H-pyrrolo[1,2-a]thieno[3,2-e][1,4]diazepin4,10-Dihydro-4-(4-aminobenzoyl)-5H-pyrrolo[1,2-a]thieno[3,2-e][1,4]diazepine
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