Chemical ID: 4900372

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)SC)CCCOC(C)C
Chemical ID:
4900372
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)SC)CCCOC(C)C
InChi [?]:
InChI=1/C25H27NO4S/c1-15(2)29-13-5-12-26-22(17-7-9-18(31-4)10-8-17)21-23(27)19-14-16(3)6-11-20(19)30-24(21)25(26)28/h6-11,14-15,22H,5,12-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:30,31,1,24,26,3,18,22,19,21,4,25,27,7,29,2,17,20,6,5,10,16,8,11,13,15,9,14,28,12,23/E:(1,2)(7,8)(9,10)/rA:31cCCCCCCCCOCCOCONCCCCCCCSCCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s20;s23;s15;s25;s26;s27;s28;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H27NO4S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:12.458
Area:686.819
Solvation:-4.71245
Coulombic:-44.2731
Bond Count [?]
All:34
Single:25
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:437.552
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.65
LogP (Chemaxon):4.42

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Descriptor Annotations

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