Chemical ID: 5274032

CC1(Cc2c(cc3c4c(c(=O)n(cn4)CCOC)sc3n2)CO1)C
Chemical ID:
5274032
Name [?]:
None
SMILES [?]:
CC1(Cc2c(cc3c4c(c(=O)n(cn4)CCOC)sc3n2)CO1)C
InChi [?]:
InChI=1/C17H19N3O3S/c1-17(2)7-12-10(8-23-17)6-11-13-14(24-15(11)19-12)16(21)20(9-18-13)4-5-22-3/h6,9H,4-5,7-8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,18,15,16,6,3,22,13,5,7,4,8,9,20,10,2,14,21,12,11,17,23,19/E:(1,2)/rA:24nCCCCCCCCCCONCNCCOCSCNCOC/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d10;s10;s12;s8d13;s12;s15;s16;s17;s9;d7s19;d4s20;s5;s2s22;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19N3O3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.65287
Area:525.693
Solvation:-4.48946
Coulombic:-42.3031
Bond Count [?]
All:27
Single:21
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:345.417
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.69
LogP (Chemaxon):1.56

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Descriptor Annotations

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