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Chemical ID: 7702991
Chemical ID:
7702991
Name [?]:
None
SMILES [?]:
CCNC(=O)c1ccc(c(c1)S(=O)(=O)Nc2cc(ccc2C)C)Cl
InChi [?]:
InChI=1/C17H19ClN2O3S/c1-4-19-17(21)13-7-8-14(18)16(10-13)24(22,23)20-15-9-11(2)5-6-12(15)3/h5-10,20H,4H2,1-3H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,23,22,2,19,20,7,8,17,11,18,21,6,9,16,10,4,24,3,15,5,13,14,12/E:(22,23)/CRV:24.6/rA:24nCCNCOCCCCCCSOONCCCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s10;d12;d12;s12;s15;s16;d17;s18;d19;d16s20;s21;s18;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19ClN2O3S |
All Atoms: | 43 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.3993 |
Area: | 540.28 |
Solvation: | -3.10775 |
Coulombic: | -33.9325 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.83 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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