Chemical ID: 6138874

Cc1c(sc2c1c(ncn2)Oc3ccc4c5c3CCCN5CCC4)C
Chemical ID:
6138874
Name [?]:
None
SMILES [?]:
Cc1c(sc2c1c(ncn2)Oc3ccc4c5c3CCCN5CCC4)C
InChi [?]:
InChI=1/C20H21N3OS/c1-12-13(2)25-20-17(12)19(21-11-22-20)24-16-8-7-14-5-3-9-23-10-4-6-15(16)18(14)23/h7-8,11H,3-6,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,23,19,24,18,14,13,22,20,9,2,3,15,17,12,6,16,7,5,8,10,21,11,4/rA:25cCCCSCCCNCNOCCCCCCCCCNCCCC/rB:s1;d2;s3;s4;s2s5;d6;s7;d8;d5s9;s7;s11;s12;d13;s14;d15;d12s16;s17;s18;s19;s16s20;s21;s22;s15s23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21N3OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.691
Area:510.475
Solvation:-2.07091
Coulombic:-26.2996
Bond Count [?]
All:29
Single:22
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:351.466
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.41
LogP (Chemaxon):5.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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