Chemical ID: 5846899

Cc1cc2ccccc2n1Cc3nnc(s3)c4ccccc4
Chemical ID:
5846899
Name [?]:
2-methyl-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]indole
SMILES [?]:
Cc1cc2ccccc2n1Cc3nnc(s3)c4ccccc4
InChi [?]:
InChI=1/C18H15N3S/c1-13-11-15-9-5-6-10-16(15)21(13)12-17-19-20-18(22-17)14-7-3-2-4-8-14/h2-11H,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,21,6,7,18,22,5,8,3,11,2,17,4,9,12,15,13,14,10,16/E:(3,4)(7,8)/rA:22nCCCCCCCCCNCCNNCSCCCCCC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s10;s11;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15N3S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.5274
Area:497.478
Solvation:-1.90961
Coulombic:-12.9355
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:305.398
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:5.24
LogP (Chemaxon):4.05

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Descriptor Annotations

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