Chemical ID: 4805483

CC(c1ccccc1)NC(=O)C2C(SC3N2C(=O)c4c3cccc4)(C)C
Chemical ID:
4805483
Name [?]:
None
SMILES [?]:
CC(c1ccccc1)NC(=O)C2C(SC3N2C(=O)c4c3cccc4)(C)C
InChi [?]:
InChI=1/C21H22N2O2S/c1-13(14-9-5-4-6-10-14)22-18(24)17-21(2,3)26-20-16-12-8-7-11-15(16)19(25)23(17)20/h4-13,17,20H,1-3H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,25,26,6,5,7,23,22,4,8,24,21,2,3,19,20,12,10,17,15,13,9,16,11,18,14/E:(2,3)(5,6)(9,10)/rA:26cCCCCCCCCNCOCCSCNCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;s13;s14;s12s15;s16;d17;s17;s15s19;d20;s21;d22;d19s23;s13;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:3
ZAP Information [?]
Total:10.991
Area:559.215
Solvation:-2.98937
Coulombic:-42.8326
Bond Count [?]
All:29
Single:21
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:366.478
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.97
LogP (Chemaxon):3.18

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Descriptor Annotations

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