Chemical ID: 7294395

c1ccc(cc1)CC2CCN(CC2)Cc3[nH]c(=O)c4c5c(sc4n3)CCC5
Chemical ID:
7294395
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CC2CCN(CC2)Cc3[nH]c(=O)c4c5c(sc4n3)CCC5
InChi [?]:
InChI=1/C22H25N3OS/c26-21-20-17-7-4-8-18(17)27-22(20)24-19(23-21)14-25-11-9-16(10-12-25)13-15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2,(H,23,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,26,3,5,27,25,9,13,10,12,7,14,4,8,20,21,15,19,17,23,16,24,11,18,22/E:(2,3)(5,6)(9,10)(11,12)/rA:27nCCCCCCCCCCNCCCCNCOCCCSCNCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s11;s14;s15;s16;d17;s17;s19;d20;s21;d19s22;d15s23;s21;s25;s20s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H25N3OS
All Atoms:52
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.1646
Area:586.625
Solvation:-2.50107
Coulombic:-33.189
Bond Count [?]
All:31
Single:24
Double:7
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:379.52
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.43
LogP (Chemaxon):3.85

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Descriptor Annotations

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