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Chemical ID: 5291468
Chemical ID:
5291468
Name [?]:
None
SMILES [?]:
Cc1nc2c3cc4c(nc3sc2c(=O)n1CCOCCO)CC(OC4)(C)C
InChi [?]:
InChI=1/C19H23N3O4S/c1-11-20-15-13-8-12-10-26-19(2,3)9-14(12)21-17(13)27-16(15)18(24)22(11)4-6-25-7-5-23/h8,23H,4-7,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,27,16,20,17,19,6,22,25,2,7,5,8,4,12,10,13,23,3,9,15,21,14,18,24,11/E:(2,3)/rA:27nCCNCCCCCNCSCCONCCOCCOCCOCCC/rB:s1;d2;s3;s4;s5;d6;s7;d8;d5s9;s10;d4s11;s12;d13;s2s13;s15;s16;s17;s18;s19;s20;s8;s22;s23;s7s24;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23N3O4S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.64396 |
Area: | 582.751 |
Solvation: | -5.92482 |
Coulombic: | -58.0226 |
Bond Count [?]
All: | 30 |
Single: | 24 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 389.47 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.22 |
LogP (Chemaxon): | 1.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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