Chemical ID: 6206051

CCC(=O)N1CCc2c1ccc(c2)S(=O)(=O)Nc3ccc4c(c3)OCCO4
Chemical ID:
6206051
Name [?]:
N-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)-1-propanoyl-indoline-5-sulfonamide
SMILES [?]:
CCC(=O)N1CCc2c1ccc(c2)S(=O)(=O)Nc3ccc4c(c3)OCCO4
InChi [?]:
InChI=1/C19H20N2O5S/c1-2-19(22)21-8-7-13-11-15(4-5-16(13)21)27(23,24)20-14-3-6-17-18(12-14)26-10-9-25-17/h3-6,11-12,20H,2,7-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,19,11,10,20,7,6,26,25,13,23,8,18,12,9,21,22,3,17,5,4,15,16,27,24,14/E:(23,24)/CRV:27.6/rA:27nCCCONCCCCCCCCSOONCCCCCCOCCO/rB:s1;s2;d3;s3;s5;s6;s7;s5s8;d9;s10;d11;d8s12;s12;d14;d14;s14;s17;s18;d19;s20;d21;d18s22;s22;s24;s25;s21s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20N2O5S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.37247
Area:563.654
Solvation:-4.71887
Coulombic:-42.2966
Bond Count [?]
All:30
Single:21
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:388.439
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:1.83
LogP (Chemaxon):1.63

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Descriptor Annotations

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