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Chemical ID: 7736123
Chemical ID:
7736123
Name [?]:
None
SMILES [?]:
c1cc2c(cc1S(=O)(=O)Nc3cc(cnc3)C(=O)NC4CCCCC4)OCCO2
InChi [?]:
InChI=1/C20H23N3O5S/c24-20(22-15-4-2-1-3-5-15)14-10-16(13-21-12-14)23-29(25,26)17-6-7-18-19(11-17)28-9-8-27-18/h6-7,10-13,15,23H,1-5,8-9H2,(H,22,24)
InChi Info:
AuxInfo=1/1/N:23,22,24,21,25,1,2,28,27,12,5,14,16,13,20,11,6,3,4,17,15,19,10,18,8,9,29,26,7/E:(2,3)(4,5)(25,26)/CRV:29.6/rA:29nCCCCCCSOONCCCCNCCONCCCCCCOCCO/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;d12;s13;d14;d11s15;s13;d17;s17;s19;s20;s21;s22;s23;s20s24;s4;s26;s27;s3s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23N3O5S |
All Atoms: | 52 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.7756 |
Area: | 617.022 |
Solvation: | -4.64992 |
Coulombic: | -53.6936 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.32 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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