Chemical ID: 7630387

c1ccc2c(c1)C(=Nc3ccc(cc3S2)O)N4CCN(CC4)CCOCCO
Chemical ID:
7630387
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C(=Nc3ccc(cc3S2)O)N4CCN(CC4)CCOCCO
InChi [?]:
InChI=1/C21H25N3O3S/c25-12-14-27-13-11-23-7-9-24(10-8-23)21-17-3-1-2-4-19(17)28-20-15-16(26)5-6-18(20)22-21/h1-6,15,25-26H,7-14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,11,10,19,21,18,22,23,27,24,26,13,12,5,9,4,14,7,8,20,17,28,16,25,15/E:(7,8)(9,10)/rA:28nCCCCCCCNCCCCCCSONCCNCCCCOCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s9;d10;s11;d12;d9s13;s4s14;s12;s7;s17;s18;s19;s20;s17s21;s20;s23;s24;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25N3O3S
All Atoms:53
Heavy Atoms:28
Chiral Atoms:None
ZAP Information [?]
Total:8.64895
Area:612.152
Solvation:-6.65486
Coulombic:-57.4493
Bond Count [?]
All:31
Single:24
Double:7
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.42
LogP (Chemaxon):None

Name Annotations

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Descriptor Annotations

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